1-[4-(3-methylphenyl)piperazin-1-yl]-2-piperazin-1-ium-1-yl-ethanone

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-piperazin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(m-tolyl)piperazin-1-yl]-2-piperazin-1-ium-1-yl-ethanone CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-2-(1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-piperazin-1-ium-1-ylethanone Traditional Name: 1-[4-(m-tolyl)piperazino]-2-piperazin-1-ium-1-yl-ethanone Formula: C17H27N4O+ MolecularWeight: 303.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCNCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCNCC3

InChI

InChI=1S/C17H26N4O/c1-15-3-2-4-16(13-15)20-9-11-21(12-10-20)17(22)14-19-7-5-18-6-8-19/h2-4,13,18H,5-12,14H2,1H3/p+1