(2R,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-piperidin-1-ium-1-yl-butan-2-ol

Systemtic Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2R,3S)-3-(4-chlorophenyl)-4-piperidin-1-ium-1-yl-2-p-phenetyl-butan-2-ol Formula: C23H31ClNO2+ MolecularWeight: 388.95074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C23H30ClNO2/c1-3-27-21-13-9-19(10-14-21)23(2,26)22(17-25-15-5-4-6-16-25)18-7-11-20(24)12-8-18/h7-14,22,26H,3-6,15-17H2,1-2H3/p+1/t22-,23+/m1/s1