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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C25H35ClNO2+ MolecularWeight: 417.0039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClNO2/c1-19(2)14-15-25(28,21-8-12-23(29-3)13-9-21)24(18-27-16-4-5-17-27)20-6-10-22(26)11-7-20/h6-13,19,24,28H,4-5,14-18H2,1-3H3/p+1/t24-,25-/m1/s1