(2S,3S)-1,3-diphenyl-4-piperidin-1-ium-1-yl-2-(4-propoxyphenyl)butan-2-ol

Systemtic Name: (2S,3S)-1,3-diphenyl-4-piperidin-1-ium-1-yl-2-(4-propoxyphenyl)butan-2-ol Openeye Name: (2S,3S)-1,3-diphenyl-4-piperidin-1-ium-1-yl-2-(4-propoxyphenyl)butan-2-ol CAS Name: (2S,3S)-1,3-diphenyl-4-(1-piperidin-1-iumyl)-2-(4-propoxyphenyl)-2-butanol IUPAC Name: (2S,3S)-1,3-diphenyl-4-piperidin-1-ium-1-yl-2-(4-propoxyphenyl)butan-2-ol Traditional Name: (2S,3S)-1,3-diphenyl-4-piperidin-1-ium-1-yl-2-(4-propoxyphenyl)butan-2-ol Formula: C30H38NO2+ MolecularWeight: 444.62822

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO2/c1-2-22-33-28-18-16-27(17-19-28)30(32,23-25-12-6-3-7-13-25)29(26-14-8-4-9-15-26)24-31-20-10-5-11-21-31/h3-4,6-9,12-19,29,32H,2,5,10-11,20-24H2,1H3/p+1/t29-,30-/m1/s1