1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(2-methylphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidinyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-4-(o-tolyl)piperazin-1-ium Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C24H31N3O2/c1-19-6-2-3-9-22(19)27-14-12-26(13-15-27)21-8-5-11-25(17-21)16-20-7-4-10-23-24(20)29-18-28-23/h2-4,6-7,9-10,21H,5,8,11-18H2,1H3/p+1/t21-/m0/s1