4-[(1S,2S)-1-(3-methylphenyl)-1-oxidanyl-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol

Systemtic Name: 4-[(1S,2S)-1-(3-methylphenyl)-1-oxidanyl-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Openeye Name: 4-[(1S,2S)-1-hydroxy-1-(m-tolyl)-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(1S,2S)-1-hydroxy-1-(3-methylphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)propyl]phenol IUPAC Name: 4-[(1S,2S)-1-hydroxy-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropyl]phenol Traditional Name: 4-[(1S,2S)-1-hydroxy-1-(m-tolyl)-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Formula: C27H32NO2+ MolecularWeight: 402.54848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)O)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)[C@@](C2=CC=C(C=C2)O)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H31NO2/c1-21-9-8-12-24(19-21)27(30,23-13-15-25(29)16-14-23)26(22-10-4-2-5-11-22)20-28-17-6-3-7-18-28/h2,4-5,8-16,19,26,29-30H,3,6-7,17-18,20H2,1H3/p+1/t26-,27+/m1/s1