(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C23H32NO2+ MolecularWeight: 354.50568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OC)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC[C@](C1=CC=C(C=C1)OC)([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H31NO2/c1-3-23(25,20-12-14-21(26-2)15-13-20)22(19-10-6-4-7-11-19)18-24-16-8-5-9-17-24/h4,6-7,10-15,22,25H,3,5,8-9,16-18H2,1-2H3/p+1/t22-,23+/m1/s1