(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate CAS Name: 3-[[(4-methoxyanilino)-oxomethyl]amino]propanoic acid (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate Traditional Name: 3-[(4-methoxyphenyl)carbamoylamino]propionic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H23N4O5+ MolecularWeight: 411.43112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)CCNC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)CCNC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4O5/c1-14-8-10-25-18(11-14)23-16(12-19(25)26)13-30-20(27)7-9-22-21(28)24-15-3-5-17(29-2)6-4-15/h3-6,8,10-12H,7,9,13H2,1-2H3,(H2,22,24,28)/p+1