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

Systemtic Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2R,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C21H27ClNO2+ MolecularWeight: 360.89758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO2/c1-21(24,17-7-11-19(25-2)12-8-17)20(15-23-13-3-4-14-23)16-5-9-18(22)10-6-16/h5-12,20,24H,3-4,13-15H2,1-2H3/p+1/t20-,21+/m1/s1