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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-methyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-5-methyl-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C25H35ClNO2+ MolecularWeight: 417.0039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClNO2/c1-4-29-23-13-9-21(10-14-23)25(28,17-19(2)3)24(18-27-15-5-6-16-27)20-7-11-22(26)12-8-20/h7-14,19,24,28H,4-6,15-18H2,1-3H3/p+1/t24-,25-/m1/s1