2,3,7,8,12,13,17,18-octaethyl-15-pyridin-1-ium-1-yl-21,22-dihydroporphyrin

Systemtic Name: 2,3,7,8,12,13,17,18-octaethyl-15-pyridin-1-ium-1-yl-21,22-dihydroporphyrin Openeye Name: 2,3,7,8,12,13,17,18-octaethyl-15-pyridin-1-ium-1-yl-21,22-dihydroporphyrin CAS Name: 2,3,7,8,12,13,17,18-octaethyl-15-(1-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-15-pyridin-1-ium-1-yl-21,22-dihydroporphyrin Traditional Name: 2,3,7,8,12,13,17,18-octaethyl-15-pyridin-1-ium-1-yl-21,22-dihydroporphine Formula: C41H50N5+ MolecularWeight: 612.8692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)[N+]6=CC=CC=C6)C(=C3CC)CC)CC

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)[N+]6=CC=CC=C6)C(=C3CC)CC)CC

InChI

InChI=1S/C41H50N5/c1-9-25-27(11-3)35-23-37-29(13-5)31(15-7)39(44-37)41(46-20-18-17-19-21-46)40-32(16-8)30(14-6)38(45-40)24-36-28(12-4)26(10-2)34(43-36)22-33(25)42-35/h17-24,42-43H,9-16H2,1-8H3/q+1