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

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C25H35ClNO3+ MolecularWeight: 433.0033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClNO3/c1-4-14-25(28,20-8-11-22(12-9-20)29-5-2)24(18-27-15-6-7-16-27)30-23-13-10-21(26)17-19(23)3/h8-13,17,24,28H,4-7,14-16,18H2,1-3H3/p+1/t24-,25+/m0/s1