2-(chloromethyl)-3-(1-ethanoylpiperazin-1-ium-1-yl)benzamide

Systemtic Name: 2-(chloromethyl)-3-(1-ethanoylpiperazin-1-ium-1-yl)benzamide Openeye Name: 3-(1-acetylpiperazin-1-ium-1-yl)-2-(chloromethyl)benzamide CAS Name: 3-(1-acetyl-1-piperazin-1-iumyl)-2-(chloromethyl)benzamide IUPAC Name: 3-(1-acetylpiperazin-1-ium-1-yl)-2-(chloromethyl)benzamide Traditional Name: 3-(1-acetylpiperazin-1-ium-1-yl)-2-(chloromethyl)benzamide Formula: C14H19ClN3O2+ MolecularWeight: 296.77256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCNCC1)C2=CC=CC(=C2CCl)C(=O)N

Isomeric SMILES

CC(=O)[N+]1(CCNCC1)C2=CC=CC(=C2CCl)C(=O)N

InChI

InChI=1S/C14H18ClN3O2/c1-10(19)18(7-5-17-6-8-18)13-4-2-3-11(14(16)20)12(13)9-15/h2-4,17H,5-9H2,1H3,(H-,16,20)/p+1