(2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-5-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-5-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-5-methyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-5-methyl-3-(4-methylphenyl)-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-5-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-5-methyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C25H35ClNO2+ MolecularWeight: 417.0039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)C)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](CC(C)C)([C@H](C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)C)O

InChI

InChI=1S/C25H34ClNO2/c1-18(2)16-25(28,21-9-7-19(3)8-10-21)24(17-27-13-5-6-14-27)29-23-12-11-22(26)15-20(23)4/h7-12,15,18,24,28H,5-6,13-14,16-17H2,1-4H3/p+1/t24-,25+/m0/s1