5,10,15,20-tetrakis(1-methylquinolin-1-ium-4-yl)-21,22-dihydroporphyrin tetrachloride

Systemtic Name: 5,10,15,20-tetrakis(1-methylquinolin-1-ium-4-yl)-21,22-dihydroporphyrin tetrachloride Openeye Name: 5,10,15,20-tetrakis(1-methylquinolin-1-ium-4-yl)-21,22-dihydroporphyrin tetrachloride CAS Name: 5,10,15,20-tetrakis(1-methyl-4-quinolin-1-iumyl)-21,22-dihydroporphyrin tetrachloride IUPAC Name: 5,10,15,20-tetrakis(1-methylquinolin-1-ium-4-yl)-21,22-dihydroporphyrin tetrachloride Traditional Name: 5,10,15,20-tetrakis(1-methylquinolin-1-ium-4-yl)-21,22-dihydroporphine tetrachloride Formula: C60H46Cl4N8 MolecularWeight: 1020.87284

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC=[N+](C9=CC=CC=C89)C)C1=CC=[N+](C2=CC=CC=C12)C)C1=CC=[N+](C2=CC=CC=C12)C)N4.[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC=[N+](C9=CC=CC=C89)C)C1=CC=[N+](C2=CC=CC=C12)C)C1=CC=[N+](C2=CC=CC=C12)C)N4.[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C60H45N8.4ClH/c1-65-33-29-41(37-13-5-9-17-53(37)65)57-45-21-23-47(61-45)58(42-30-34-66(2)54-18-10-6-14-38(42)54)49-25-27-51(63-49)60(44-32-36-68(4)56-20-12-8-16-40(44)56)52-28-26-50(64-52)59(48-24-22-46(57)62-48)43-31-35-67(3)55-19-11-7-15-39(43)55;;;;/h5-36H,1-4H3,(H,61,62,63,64);4*1H/q+3;;;;/p-3