ethyl 2-[3-[azanyl(phenylcarbamoyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[azanyl(phenylcarbamoyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[3-[amino(phenylcarbamoyl)carbamoyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-[[amino-[anilino(oxo)methyl]amino]-oxomethyl]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[amino(phenylcarbamoyl)carbamoyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-[amino(phenylcarbamoyl)carbamoyl]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)N(C(=O)NC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)N(C(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C17H18N4O4/c1-2-25-15(22)12-20-10-6-7-13(11-20)16(23)21(18)17(24)19-14-8-4-3-5-9-14/h3-11H,2,12,18H2,1H3/p+1