1-[(3S)-1-(cyclopentylmethyl)piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine

Systemtic Name: 1-[(3S)-1-(cyclopentylmethyl)piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Openeye Name: 1-[(3S)-1-(cyclopentylmethyl)piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine CAS Name: 1-[(3S)-1-(cyclopentylmethyl)-3-piperidin-1-iumyl]-4-(2-methylphenyl)piperazine IUPAC Name: 1-[(3S)-1-(cyclopentylmethyl)piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Traditional Name: 1-[(3S)-1-(cyclopentylmethyl)piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine Formula: C22H36N3+ MolecularWeight: 342.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4CCCC4

InChI

InChI=1S/C22H35N3/c1-19-7-2-5-11-22(19)25-15-13-24(14-16-25)21-10-6-12-23(18-21)17-20-8-3-4-9-20/h2,5,7,11,20-21H,3-4,6,8-10,12-18H2,1H3/p+1/t21-/m0/s1