(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C23H31ClNO2+ MolecularWeight: 388.95074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClNO2/c1-17(2)23(26,19-8-12-21(27-3)13-9-19)22(16-25-14-4-5-15-25)18-6-10-20(24)11-7-18/h6-13,17,22,26H,4-5,14-16H2,1-3H3/p+1/t22-,23-/m1/s1