2-[3-azanyl-1,6-dimethyl-2-oxidanylidene-4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-azanyl-1,6-dimethyl-2-oxidanylidene-4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(3-amino-4-benzyl-1,6-dimethyl-2-oxo-pyridin-1-ium-1-yl)acetic acid CAS Name: 2-[3-amino-1,6-dimethyl-2-oxo-4-(phenylmethyl)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-(3-amino-4-benzyl-1,6-dimethyl-2-oxopyridin-1-ium-1-yl)acetic acid Traditional Name: 2-(3-amino-4-benzyl-2-keto-1,6-dimethyl-pyridin-1-ium-1-yl)acetic acid Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-11-8-13(9-12-6-4-3-5-7-12)15(17)16(21)18(11,2)10-14(19)20/h3-8H,9-10,17H2,1-2H3/p+1