N-[4-(azepan-1-yl)phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(azepan-1-yl)phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[4-(1-azepanyl)phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(azepan-1-yl)phenyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H30N4O2/c1-17(25)23-14-12-22(13-15-23)16-20(26)21-18-6-8-19(9-7-18)24-10-4-2-3-5-11-24/h6-9H,2-5,10-16H2,1H3,(H,21,26)/p+1