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

Systemtic Name: 4-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-[4-(o-tolyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-[4-(o-tolyl)piperazino]piperidin-1-ium-1-yl]methyl]phenol Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C23H31N3O/c1-19-5-2-3-7-23(19)26-15-13-25(14-16-26)21-6-4-12-24(18-21)17-20-8-10-22(27)11-9-20/h2-3,5,7-11,21,27H,4,6,12-18H2,1H3/p+1/t21-/m0/s1