(2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C27H31ClNO3+ MolecularWeight: 452.99294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)([C@H](C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C27H30ClNO3/c1-31-24-13-7-21(8-14-24)27(30,22-9-15-25(32-2)16-10-22)26(19-29-17-3-4-18-29)20-5-11-23(28)12-6-20/h5-16,26,30H,3-4,17-19H2,1-2H3/p+1/t26-/m1/s1