N-methyl-2,4-bis(4-methylphenyl)-N-phenyl-6-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-amine iodide

Systemtic Name: N-methyl-2,4-bis(4-methylphenyl)-N-phenyl-6-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-amine iodide Openeye Name: N-methyl-N-phenyl-2,4-bis(p-tolyl)-6-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]pyridin-1-ium-1-amine iodide CAS Name: N-methyl-2,4-bis(4-methylphenyl)-N-phenyl-6-[3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-1-pyridin-1-iumamine iodide IUPAC Name: N-methyl-2,4-bis(4-methylphenyl)-N-phenyl-6-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-amine iodide Traditional Name: [2,4-bis(p-tolyl)-6-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]-methyl-phenyl-amine iodide Formula: C40H40IN3 MolecularWeight: 689.67017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C=CC=C3C(C4=CC=CC=C4N3C)(C)C)N(C)C5=CC=CC=C5)C6=CC=C(C=C6)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C=CC=C3C(C4=CC=CC=C4N3C)(C)C)N(C)C5=CC=CC=C5)C6=CC=C(C=C6)C.[I-]

InChI

InChI=1S/C40H40N3.HI/c1-29-19-23-31(24-20-29)33-27-35(15-12-18-39-40(3,4)36-16-10-11-17-37(36)41(39)5)43(42(6)34-13-8-7-9-14-34)38(28-33)32-25-21-30(2)22-26-32;/h7-28H,1-6H3;1H/q+1;/p-1