(2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-methyl-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-6-methyl-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C26H37ClNO2+ MolecularWeight: 431.03048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClNO2/c1-4-30-24-13-9-22(10-14-24)26(29,16-15-20(2)3)25(19-28-17-5-6-18-28)21-7-11-23(27)12-8-21/h7-14,20,25,29H,4-6,15-19H2,1-3H3/p+1/t25-,26-/m1/s1