cyclobutyl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: cyclobutyl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: cyclobutyl-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: cyclobutyl-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: cyclobutyl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: cyclobutyl-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4CCC4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4CCC4

InChI

InChI=1S/C21H31N3O/c1-17-6-2-3-10-20(17)23-14-12-22(13-15-23)19-9-5-11-24(16-19)21(25)18-7-4-8-18/h2-3,6,10,18-19H,4-5,7-9,11-16H2,1H3/p+1/t19-/m0/s1