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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClNO2/c1-4-5-14-25(28,21-10-8-19(2)9-11-21)24(18-27-15-6-7-16-27)29-23-13-12-22(26)17-20(23)3/h8-13,17,24,28H,4-7,14-16,18H2,1-3H3/p+1/t24-,25+/m0/s1