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

Systemtic Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]phenol CAS Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methyl]phenol Formula: C23H32N3O2+ MolecularWeight: 382.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=CC=CC=C4O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC=CC=C4O

InChI

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