5-ethanoyl-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid

Systemtic Name: 5-ethanoyl-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid Openeye Name: 5-acetyl-1-benzyl-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid CAS Name: 5-acetyl-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid IUPAC Name: 5-acetyl-1-benzyl-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid Traditional Name: 5-acetyl-1-benzyl-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid Formula: C15H18NO3+ MolecularWeight: 260.30832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CCC[N+](C1)(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)C1=CCC[N+](C1)(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H17NO3/c1-12(17)14-8-5-9-16(11-14,15(18)19)10-13-6-3-2-4-7-13/h2-4,6-8H,5,9-11H2,1H3/p+1