N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenoxy-propanamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenoxy-propanamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenoxy-propanamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-phenoxypropanamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenoxypropanamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-3-phenoxy-propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-17(26)24-11-13-25(14-12-24)21-18(6-5-10-22-21)16-23-20(27)9-15-28-19-7-3-2-4-8-19/h2-8,10H,9,11-16H2,1H3,(H,23,27)/p+1