(2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C25H35ClNO2+ MolecularWeight: 417.0039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClNO2/c1-3-5-16-25(28,21-10-14-23(15-11-21)29-4-2)24(19-27-17-6-7-18-27)20-8-12-22(26)13-9-20/h8-15,24,28H,3-7,16-19H2,1-2H3/p+1/t24-,25-/m1/s1