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

Systemtic Name: 2-[3-azanyl-4-[(4-fluorophenyl)methyl]-1,6-dimethyl-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-amino-4-[(4-fluorophenyl)methyl]-1,6-dimethyl-2-oxo-pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[3-amino-4-[(4-fluorophenyl)methyl]-1,6-dimethyl-2-oxo-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[3-amino-4-[(4-fluorophenyl)methyl]-1,6-dimethyl-2-oxopyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-amino-4-(4-fluorobenzyl)-2-keto-1,6-dimethyl-pyridin-1-ium-1-yl]acetic acid Formula: C16H18FN2O3+ MolecularWeight: 305.324123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O3/c1-10-7-12(8-11-3-5-13(17)6-4-11)15(18)16(22)19(10,2)9-14(20)21/h3-7H,8-9,18H2,1-2H3/p+1