(2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-6-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-6-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-6-methyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-6-methyl-3-(4-methylphenyl)-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-6-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-6-methyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C26H37ClNO2+ MolecularWeight: 431.03048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClNO2/c1-19(2)13-14-26(29,22-9-7-20(3)8-10-22)25(18-28-15-5-6-16-28)30-24-12-11-23(27)17-21(24)4/h7-12,17,19,25,29H,5-6,13-16,18H2,1-4H3/p+1/t25-,26+/m0/s1