1-[(3-cyanophenyl)methyl]-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide

Systemtic Name: 1-[(3-cyanophenyl)methyl]-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-cyanophenyl)methyl]-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide CAS Name: 1-[(3-cyanophenyl)methyl]-3-methyl-N-[(1-methyl-4-pyridin-1-iumyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-cyanophenyl)methyl]-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(3-cyanobenzyl)-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Formula: C25H23N4O+ MolecularWeight: 395.47632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=[N+](C=C4)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=[N+](C=C4)C

InChI

InChI=1S/C25H22N4O/c1-18-22-8-3-4-9-23(22)29(17-21-7-5-6-20(14-21)15-26)24(18)25(30)27-16-19-10-12-28(2)13-11-19/h3-14H,16-17H2,1-2H3/p+1