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

Systemtic Name: 3-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]phenol CAS Name: 3-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]phenol IUPAC Name: 3-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methyl]phenol Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=CC(=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC(=CC=C4)O

InChI

InChI=1S/C23H31N3O2/c1-28-23-9-7-20(8-10-23)25-12-14-26(15-13-25)21-5-3-11-24(18-21)17-19-4-2-6-22(27)16-19/h2,4,6-10,16,21,27H,3,5,11-15,17-18H2,1H3/p+1/t21-/m0/s1