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

Systemtic Name: (2S,3S)-3-(4-chloranyl-2-methyl-phenoxy)-2-(4-methylphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-3-(4-chloro-2-methyl-phenoxy)-2-(p-tolyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-3-(4-chloro-2-methylphenoxy)-2-(4-methylphenyl)-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-3-(4-chloro-2-methylphenoxy)-2-(4-methylphenyl)-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-3-(4-chloro-2-methyl-phenoxy)-2-(p-tolyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C22H29ClNO2+ MolecularWeight: 374.92416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClNO2/c1-16-6-8-18(9-7-16)22(3,25)21(15-24-12-4-5-13-24)26-20-11-10-19(23)14-17(20)2/h6-11,14,21,25H,4-5,12-13,15H2,1-3H3/p+1/t21-,22-/m0/s1