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

Systemtic Name: 1-(2-methylphenyl)-4-[(3S)-1-(phenylmethyl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-[(3S)-1-benzyl-3-piperidyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-(2-methylphenyl)-4-[(3S)-1-(phenylmethyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-[(3S)-1-benzylpiperidin-3-yl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-benzyl-3-piperidyl]-4-(o-tolyl)piperazin-1-ium Formula: C23H32N3+ MolecularWeight: 350.52028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3/c1-20-8-5-6-12-23(20)26-16-14-25(15-17-26)22-11-7-13-24(19-22)18-21-9-3-2-4-10-21/h2-6,8-10,12,22H,7,11,13-19H2,1H3/p+1/t22-/m0/s1