(2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-6-methyl-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-6-methyl-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-6-methyl-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C27H39ClNO3+ MolecularWeight: 461.05646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38ClNO3/c1-5-31-24-11-8-22(9-12-24)27(30,15-14-20(2)3)26(19-29-16-6-7-17-29)32-25-13-10-23(28)18-21(25)4/h8-13,18,20,26,30H,5-7,14-17,19H2,1-4H3/p+1/t26-,27+/m0/s1