carboxymethyl-(4-cyanocyclohex-3-en-1-yl)-(phenylmethyl)azanium chloride

Systemtic Name: carboxymethyl-(4-cyanocyclohex-3-en-1-yl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(carboxymethyl)-(4-cyanocyclohex-3-en-1-yl)ammonium chloride CAS Name: carboxymethyl-(4-cyano-1-cyclohex-3-enyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(carboxymethyl)-(4-cyanocyclohex-3-en-1-yl)azanium chloride Traditional Name: benzyl-(carboxymethyl)-(4-cyanocyclohex-3-en-1-yl)ammonium chloride Formula: C16H19ClN2O2 MolecularWeight: 306.78726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCC1[NH+](CC2=CC=CC=C2)CC(=O)O)C#N.[Cl-]

Isomeric SMILES

C1CC(=CCC1[NH+](CC2=CC=CC=C2)CC(=O)O)C#N.[Cl-]

InChI

InChI=1S/C16H18N2O2.ClH/c17-10-13-6-8-15(9-7-13)18(12-16(19)20)11-14-4-2-1-3-5-14;/h1-6,15H,7-9,11-12H2,(H,19,20);1H