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

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1-phenyl-cyclopropanecarboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-1-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-1-phenyl-cyclopropanecarboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-17(27)25-12-14-26(15-13-25)20-18(6-5-11-23-20)16-24-21(28)22(9-10-22)19-7-3-2-4-8-19/h2-8,11H,9-10,12-16H2,1H3,(H,24,28)/p+1