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

Systemtic Name: 1-[(3-cyanophenyl)methyl]-N-ethyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-cyanophenyl)methyl]-N-ethyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide CAS Name: 1-[(3-cyanophenyl)methyl]-N-ethyl-N-[(1-methyl-4-pyridin-1-iumyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-cyanophenyl)methyl]-N-ethyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(3-cyanobenzyl)-N-ethyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Formula: C26H25N4O+ MolecularWeight: 409.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=[N+](C=C1)C)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C#N

Isomeric SMILES

CCN(CC1=CC=[N+](C=C1)C)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H25N4O/c1-3-29(18-20-11-13-28(2)14-12-20)26(31)25-16-23-9-4-5-10-24(23)30(25)19-22-8-6-7-21(15-22)17-27/h4-16H,3,18-19H2,1-2H3/q+1