5,10,15,20-tetrakis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride

Systemtic Name: 5,10,15,20-tetrakis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride Openeye Name: 5,10,15,20-tetrakis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride CAS Name: 5,10,15,20-tetrakis(1-methyl-3-quinolin-1-iumyl)-21,22-dihydroporphyrin tetrachloride IUPAC Name: 5,10,15,20-tetrakis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride Traditional Name: 5,10,15,20-tetrakis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphine tetrachloride Formula: C60H46Cl4N8 MolecularWeight: 1020.87284

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC2=CC=CC=C21)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC9=CC=CC=C9[N+](=C8)C)C1=CC2=CC=CC=C2[N+](=C1)C)C1=CC2=CC=CC=C2[N+](=C1)C)N4.[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CC(=CC2=CC=CC=C21)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC9=CC=CC=C9[N+](=C8)C)C1=CC2=CC=CC=C2[N+](=C1)C)C1=CC2=CC=CC=C2[N+](=C1)C)N4.[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C60H46N8.4ClH/c1-65-33-41(29-37-13-5-9-17-53(37)65)57-45-21-23-47(61-45)58(42-30-38-14-6-10-18-54(38)66(2)34-42)49-25-27-51(63-49)60(44-32-40-16-8-12-20-56(40)68(4)36-44)52-28-26-50(64-52)59(48-24-22-46(57)62-48)43-31-39-15-7-11-19-55(39)67(3)35-43;;;;/h5-36,61-62H,1-4H3;4*1H/q+4;;;;/p-4