(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C24H33ClNO2+ MolecularWeight: 402.97732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32ClNO2/c1-18(2)16-24(27,20-8-12-22(28-3)13-9-20)23(17-26-14-4-5-15-26)19-6-10-21(25)11-7-19/h6-13,18,23,27H,4-5,14-17H2,1-3H3/p+1/t23-,24-/m1/s1