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

Systemtic Name: (1S,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-2-(4-chlorophenyl)-1-phenyl-1-p-phenetyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C27H31ClNO2+ MolecularWeight: 436.99354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C27H30ClNO2/c1-2-31-25-16-12-23(13-17-25)27(30,22-8-4-3-5-9-22)26(20-29-18-6-7-19-29)21-10-14-24(28)15-11-21/h3-5,8-17,26,30H,2,6-7,18-20H2,1H3/p+1/t26-,27+/m1/s1