3-(dimethylamino)-N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 3-(dimethylamino)-N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(dimethylamino)benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-(dimethylamino)benzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(dimethylamino)benzamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-3-(dimethylamino)benzamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-18(7-5-9-22-20)15-23-21(28)17-6-4-8-19(14-17)24(2)3/h4-9,14H,10-13,15H2,1-3H3,(H,23,28)/p+1