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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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