triethyl-[[4-[10,15,20-tris[4-[(triethylazaniumyl)methyl]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]methyl]azanium tetrachloride

Systemtic Name: triethyl-[[4-[10,15,20-tris[4-[(triethylazaniumyl)methyl]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]methyl]azanium tetrachloride Openeye Name: triethyl-[[4-[10,15,20-tris[4-[(triethylammonio)methyl]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]methyl]ammonium tetrachloride CAS Name: triethyl-[[4-[10,15,20-tris[4-[(triethylammonio)methyl]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]methyl]ammonium tetrachloride IUPAC Name: triethyl-[[4-[10,15,20-tris[4-[(triethylazaniumyl)methyl]phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]methyl]azanium tetrachloride Traditional Name: triethyl-[4-[10,15,20-tris[4-[(triethylammonio)methyl]phenyl]-21,22-dihydroporphin-5-yl]benzyl]ammonium tetrachloride Formula: C72H94Cl4N8 MolecularWeight: 1213.38236

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C[N+](CC)(CC)CC)C8=CC=C(C=C8)C[N+](CC)(CC)CC)C9=CC=C(C=C9)C[N+](CC)(CC)CC)N3.[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C[N+](CC)(CC)CC)C8=CC=C(C=C8)C[N+](CC)(CC)CC)C9=CC=C(C=C9)C[N+](CC)(CC)CC)N3.[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C72H94N8.4ClH/c1-13-77(14-2,15-3)49-53-25-33-57(34-26-53)69-61-41-43-63(73-61)70(58-35-27-54(28-36-58)50-78(16-4,17-5)18-6)65-45-47-67(75-65)72(60-39-31-56(32-40-60)52-80(22-10,23-11)24-12)68-48-46-66(76-68)71(64-44-42-62(69)74-64)59-37-29-55(30-38-59)51-79(19-7,20-8)21-9;;;;/h25-48,73-74H,13-24,49-52H2,1-12H3;4*1H/q+4;;;;/p-4