(1S,2S)-1-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(C=C2)Cl)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC=C1[C@@](C2=CC=C(C=C2)Cl)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H30ClNO2/c1-31-26-13-7-6-12-24(26)27(30,22-14-16-23(28)17-15-22)25(21-10-4-2-5-11-21)20-29-18-8-3-9-19-29/h2,4-7,10-17,25,30H,3,8-9,18-20H2,1H3/p+1/t25-,27+/m1/s1