(1S,2S)-1-(4-methylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol

Systemtic Name: (1S,2S)-1-(4-methylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol Openeye Name: (1S,2S)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)-1-(p-tolyl)propan-1-ol CAS Name: (1S,2S)-1-(4-methylphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-(4-propoxyphenyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-methylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol Traditional Name: (1S,2S)-2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)-1-(p-tolyl)propan-1-ol Formula: C30H38NO2+ MolecularWeight: 444.62822

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@](C2=CC=C(C=C2)C)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO2/c1-3-22-33-28-18-16-27(17-19-28)30(32,26-14-12-24(2)13-15-26)29(25-10-6-4-7-11-25)23-31-20-8-5-9-21-31/h4,6-7,10-19,29,32H,3,5,8-9,20-23H2,1-2H3/p+1/t29-,30+/m1/s1