N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1H-indole-3-carboxamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1H-indole-3-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1H-indole-3-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-1H-indole-3-carboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1H-indole-3-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-1H-indole-3-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N5O2/c1-15(27)25-9-11-26(12-10-25)20-16(5-4-8-22-20)13-24-21(28)18-14-23-19-7-3-2-6-17(18)19/h2-8,14,23H,9-13H2,1H3,(H,24,28)/p+1