ethyl (3S)-1-(1H-imidazol-2-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1H-imidazol-2-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(1H-imidazol-2-ylmethyl)-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=NC=CN2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=NC=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2/c1-2-24-18(23)19(13-16-7-4-3-5-8-16)9-6-12-22(15-19)14-17-20-10-11-21-17/h3-5,7-8,10-11H,2,6,9,12-15H2,1H3,(H,20,21)/p+1/t19-/m0/s1