2,7-diethyl-3,8,12,18-tetramethyl-13,17-bis(3-pyridin-1-ium-1-ylpropyl)-21,22-dihydroporphyrin

Systemtic Name: 2,7-diethyl-3,8,12,18-tetramethyl-13,17-bis(3-pyridin-1-ium-1-ylpropyl)-21,22-dihydroporphyrin Openeye Name: 2,7-diethyl-3,8,12,18-tetramethyl-13,17-bis(3-pyridin-1-ium-1-ylpropyl)-21,22-dihydroporphyrin CAS Name: 2,7-diethyl-3,8,12,18-tetramethyl-13,17-bis[3-(1-pyridin-1-iumyl)propyl]-21,22-dihydroporphyrin IUPAC Name: 2,7-diethyl-3,8,12,18-tetramethyl-13,17-bis(3-pyridin-1-ium-1-ylpropyl)-21,22-dihydroporphyrin Traditional Name: 2,7-diethyl-3,8,12,18-tetramethyl-13,17-bis(3-pyridin-1-ium-1-ylpropyl)-21,22-dihydroporphine Formula: C44H50N6+2 MolecularWeight: 662.908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC[N+]6=CC=CC=C6)CCC[N+]7=CC=CC=C7)C)C)CC)C

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC[N+]6=CC=CC=C6)CCC[N+]7=CC=CC=C7)C)C)CC)C

InChI

InChI=1S/C44H50N6/c1-7-33-29(3)37-25-38-31(5)35(17-15-23-49-19-11-9-12-20-49)43(47-38)28-44-36(18-16-24-50-21-13-10-14-22-50)32(6)40(48-44)27-42-34(8-2)30(4)39(46-42)26-41(33)45-37/h9-14,19-22,25-28,45-46H,7-8,15-18,23-24H2,1-6H3/q+2