(1S,2S)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-ol

Systemtic Name: (1S,2S)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-ol Openeye Name: (1S,2S)-1-(4-isopropoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-2-phenyl-3-(1-piperidin-1-iumyl)-1-(4-propan-2-yloxyphenyl)-1-propanol IUPAC Name: (1S,2S)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-ol Traditional Name: (1S,2S)-1-(4-isopropoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C23H32NO2+ MolecularWeight: 354.50568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H]([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H31NO2/c1-18(2)26-21-13-11-20(12-14-21)23(25)22(19-9-5-3-6-10-19)17-24-15-7-4-8-16-24/h3,5-6,9-14,18,22-23,25H,4,7-8,15-17H2,1-2H3/p+1/t22-,23-/m1/s1