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

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C24H33ClNO2+ MolecularWeight: 402.97732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32ClNO2/c1-4-13-24(27,20-9-7-18(2)8-10-20)23(17-26-14-5-6-15-26)28-22-12-11-21(25)16-19(22)3/h7-12,16,23,27H,4-6,13-15,17H2,1-3H3/p+1/t23-,24+/m0/s1