[(3R)-3-(4-cyclopropylphenyl)-1-(phenylmethyl)piperidin-1-ium-3-yl] propanoate

Systemtic Name: [(3R)-3-(4-cyclopropylphenyl)-1-(phenylmethyl)piperidin-1-ium-3-yl] propanoate Openeye Name: [(3R)-1-benzyl-3-(4-cyclopropylphenyl)piperidin-1-ium-3-yl] propanoate CAS Name: propanoic acid [(3R)-3-(4-cyclopropylphenyl)-1-(phenylmethyl)-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-benzyl-3-(4-cyclopropylphenyl)piperidin-1-ium-3-yl] propanoate Traditional Name: propionic acid [(3R)-1-benzyl-3-(4-cyclopropylphenyl)piperidin-1-ium-3-yl] ester Formula: C24H30NO2+ MolecularWeight: 364.5005

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCC[NH+](C1)CC2=CC=CC=C2)C3=CC=C(C=C3)C4CC4

Isomeric SMILES

CCC(=O)O[C@]1(CCC[NH+](C1)CC2=CC=CC=C2)C3=CC=C(C=C3)C4CC4

InChI

InChI=1S/C24H29NO2/c1-2-23(26)27-24(22-13-11-21(12-14-22)20-9-10-20)15-6-16-25(18-24)17-19-7-4-3-5-8-19/h3-5,7-8,11-14,20H,2,6,9-10,15-18H2,1H3/p+1/t24-/m0/s1