[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-(2-methylbenzoyl)piperazin-1-yl]-4-oxo-butyl]ammonium CAS Name: [4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-4-oxobutyl]ammonium IUPAC Name: [4-[4-(2-methylbenzoyl)piperazin-1-yl]-4-oxobutyl]azanium Traditional Name: [4-keto-4-(4-o-toluoylpiperazino)butyl]ammonium Formula: C16H24N3O2+ MolecularWeight: 290.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)CCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)CCC[NH3+]

InChI

InChI=1S/C16H23N3O2/c1-13-5-2-3-6-14(13)16(21)19-11-9-18(10-12-19)15(20)7-4-8-17/h2-3,5-6H,4,7-12,17H2,1H3/p+1