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

Systemtic Name: 4-methoxy-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenol Openeye Name: 4-methoxy-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]phenol CAS Name: 4-methoxy-2-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]phenol IUPAC Name: 4-methoxy-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenol Traditional Name: 4-methoxy-2-[[(3S)-3-(4-phenylpiperazin-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)O)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)O)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

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