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

Systemtic Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2R,3S)-3-(4-chlorophenyl)-2-p-phenetyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C22H29ClNO2+ MolecularWeight: 374.92416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)(C(C[NH+]2CCCC2)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C)([C@H](C[NH+]2CCCC2)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H28ClNO2/c1-3-26-20-12-8-18(9-13-20)22(2,25)21(16-24-14-4-5-15-24)17-6-10-19(23)11-7-17/h6-13,21,25H,3-5,14-16H2,1-2H3/p+1/t21-,22+/m1/s1