N-[(2R)-1-azanyl-3-(1-methylpyridin-1-ium-3-yl)-1-oxidanylidene-propan-2-yl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide

Systemtic Name: N-[(2R)-1-azanyl-3-(1-methylpyridin-1-ium-3-yl)-1-oxidanylidene-propan-2-yl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide Openeye Name: N-[(1R)-2-amino-1-[(1-methylpyridin-1-ium-3-yl)methyl]-2-oxo-ethyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide CAS Name: N-[(2R)-1-amino-3-(1-methyl-3-pyridin-1-iumyl)-1-oxopropan-2-yl]-1-[(3-cyanophenyl)methyl]-2-indolecarboxamide IUPAC Name: N-[(2R)-1-amino-3-(1-methylpyridin-1-ium-3-yl)-1-oxopropan-2-yl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide Traditional Name: N-[(1R)-2-amino-2-keto-1-[(1-methylpyridin-1-ium-3-yl)methyl]ethyl]-1-(3-cyanobenzyl)indole-2-carboxamide Formula: C26H24N5O2+ MolecularWeight: 438.50106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC(C(=O)N)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C#N

Isomeric SMILES

C[N+]1=CC=CC(=C1)C[C@H](C(=O)N)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H23N5O2/c1-30-11-5-8-20(16-30)13-22(25(28)32)29-26(33)24-14-21-9-2-3-10-23(21)31(24)17-19-7-4-6-18(12-19)15-27/h2-12,14,16,22H,13,17H2,1H3,(H2-,28,29,32,33)/p+1/t22-/m1/s1