5-ethanoyl-1-(phenylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-olate

Systemtic Name: 5-ethanoyl-1-(phenylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-olate Openeye Name: 5-acetyl-1-benzyl-1,2,3,6-tetrahydropyridin-1-ium-4-olate CAS Name: 5-acetyl-1-(phenylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-olate IUPAC Name: 5-acetyl-1-benzyl-1,2,3,6-tetrahydropyridin-1-ium-4-olate Traditional Name: 5-acetyl-1-benzyl-1,2,3,6-tetrahydropyridin-1-ium-4-olate Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CC[NH+](C1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(=O)C1=C(CC[NH+](C1)CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H17NO2/c1-11(16)13-10-15(8-7-14(13)17)9-12-5-3-2-4-6-12/h2-6,17H,7-10H2,1H3