3-methoxy-2-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 3-methoxy-2-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Openeye Name: 3-methoxy-2-[[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]phenol CAS Name: 3-methoxy-2-[[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]phenol IUPAC Name: 3-methoxy-2-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Traditional Name: 3-methoxy-2-[[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methyl]phenol Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=C(C=CC=C4OC)O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=C(C=CC=C4OC)O

InChI

InChI=1S/C24H33N3O2/c1-19-7-3-4-9-22(19)27-15-13-26(14-16-27)20-8-6-12-25(17-20)18-21-23(28)10-5-11-24(21)29-2/h3-5,7,9-11,20,28H,6,8,12-18H2,1-2H3/p+1/t20-/m0/s1