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

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C23H31ClNO2+ MolecularWeight: 388.95074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClNO2/c1-4-23(26,19-9-7-17(2)8-10-19)22(16-25-13-5-6-14-25)27-21-12-11-20(24)15-18(21)3/h7-12,15,22,26H,4-6,13-14,16H2,1-3H3/p+1/t22-,23+/m0/s1