4-[5,15-bis(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin-10-yl]-N-prop-2-ynyl-aniline

Systemtic Name: 4-[5,15-bis(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin-10-yl]-N-prop-2-ynyl-aniline Openeye Name: 4-[5,15-bis(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin-10-yl]-N-prop-2-ynyl-aniline CAS Name: 4-[5,15-bis(1-methyl-2-pyridin-1-iumyl)-22,24-dihydro-21H-corrin-10-yl]-N-prop-2-ynylaniline IUPAC Name: 4-[5,15-bis(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin-10-yl]-N-prop-2-ynylaniline Traditional Name: [4-[5,15-bis(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin-10-yl]phenyl]-propargyl-amine Formula: C40H33N7+2 MolecularWeight: 611.73692

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C6=CC=C2N6)C7=CC=CC=[N+]7C)C=C4)C8=CC=C(C=C8)NCC#C)N3

Isomeric SMILES

C[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C6=CC=C2N6)C7=CC=CC=[N+]7C)C=C4)C8=CC=C(C=C8)NCC#C)N3

InChI

InChI=1S/C40H31N7/c1-4-23-41-27-13-11-26(12-14-27)38-30-19-21-34(44-30)39(36-9-5-7-24-46(36)2)32-17-15-28(42-32)29-16-18-33(43-29)40(35-22-20-31(38)45-35)37-10-6-8-25-47(37)3/h1,5-22,24-25H,23H2,2-3H3,(H2,41,44,45)/p+2