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

Systemtic Name: cyclopenten-1-yl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: cyclopenten-1-yl-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: 1-cyclopentenyl-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: cyclopenten-1-yl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: cyclopenten-1-yl-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CCCC4

InChI

InChI=1S/C22H31N3O/c1-18-7-2-5-11-21(18)24-15-13-23(14-16-24)20-10-6-12-25(17-20)22(26)19-8-3-4-9-19/h2,5,7-8,11,20H,3-4,6,9-10,12-17H2,1H3/p+1/t20-/m0/s1