2,3,7,8,12,13,17,18-octaethyl-23-methyl-21,22-dihydroporphyrin-23-ium

Systemtic Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21,22-dihydroporphyrin-23-ium Openeye Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21,22-dihydroporphyrin-23-ium CAS Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21,22-dihydroporphyrin-23-ium IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21,22-dihydroporphyrin-23-ium Traditional Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21,22-dihydroporphin-23-ium Formula: C37H49N4+ MolecularWeight: 549.81176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=[N+](C(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C)C(=C3CC)CC)CC

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=[N+](C(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C)C(=C3CC)CC)CC

InChI

InChI=1S/C37H48N4/c1-10-22-23(11-2)31-19-33-25(13-4)27(15-6)35(40-33)21-37-29(17-8)28(16-7)36(41(37)9)20-34-26(14-5)24(12-3)32(39-34)18-30(22)38-31/h18-21H,10-17H2,1-9H3,(H,38,39,40)/p+1