N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C23H24N5O+ MolecularWeight: 386.46956

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C23H23N5O/c1-28(14-11-19-9-4-5-12-24-19)22-18(8-6-13-25-22)16-26-23(29)21-15-17-7-2-3-10-20(17)27-21/h2-10,12-13,15,27H,11,14,16H2,1H3,(H,26,29)/p+1