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

Systemtic Name: (1R,2S)-2-(4-chloranyl-2-methyl-phenoxy)-1-cyclohexyl-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-2-(4-chloro-2-methyl-phenoxy)-1-cyclohexyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-2-(4-chloro-2-methylphenoxy)-1-cyclohexyl-1-(4-methylphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-2-(4-chloro-2-methylphenoxy)-1-cyclohexyl-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-2-(4-chloro-2-methyl-phenoxy)-1-cyclohexyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C27H37ClNO2+ MolecularWeight: 443.04118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)C)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)C)O

InChI

InChI=1S/C27H36ClNO2/c1-20-10-12-23(13-11-20)27(30,22-8-4-3-5-9-22)26(19-29-16-6-7-17-29)31-25-15-14-24(28)18-21(25)2/h10-15,18,22,26,30H,3-9,16-17,19H2,1-2H3/p+1/t26-,27+/m0/s1