(2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-5-methyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-5-methyl-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C26H37ClNO3+ MolecularWeight: 447.02988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CC(C)C)([C@H](C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)C)O

InChI

InChI=1S/C26H36ClNO3/c1-5-30-23-11-8-21(9-12-23)26(29,17-19(2)3)25(18-28-14-6-7-15-28)31-24-13-10-22(27)16-20(24)4/h8-13,16,19,25,29H,5-7,14-15,17-18H2,1-4H3/p+1/t25-,26+/m0/s1