2-[3-azanyl-4-[(4-cyanophenyl)methyl]-1,6-dimethyl-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3-azanyl-4-[(4-cyanophenyl)methyl]-1,6-dimethyl-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-amino-4-[(4-cyanophenyl)methyl]-1,6-dimethyl-2-oxo-pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-amino-4-[(4-cyanophenyl)methyl]-1,6-dimethyl-2-oxo-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[3-amino-4-[(4-cyanophenyl)methyl]-1,6-dimethyl-2-oxopyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-amino-4-(4-cyanobenzyl)-2-keto-1,6-dimethyl-pyridin-1-ium-1-yl]acetate Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])N)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])N)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H17N3O3/c1-11-7-14(8-12-3-5-13(9-18)6-4-12)16(19)17(23)20(11,2)10-15(21)22/h3-7H,8,10,19H2,1-2H3