phenyl 1-azanyl-4-methyl-3-[methyl(propyl)amino]-5-oxidanylidene-1,2,4-triazol-1-ium-1-carboxylate

Systemtic Name: phenyl 1-azanyl-4-methyl-3-[methyl(propyl)amino]-5-oxidanylidene-1,2,4-triazol-1-ium-1-carboxylate Openeye Name: phenyl 1-amino-4-methyl-3-[methyl(propyl)amino]-5-oxo-1,2,4-triazol-1-ium-1-carboxylate CAS Name: 1-amino-4-methyl-3-[methyl(propyl)amino]-5-oxo-1,2,4-triazol-1-ium-1-carboxylic acid phenyl ester IUPAC Name: phenyl 1-amino-4-methyl-3-[methyl(propyl)amino]-5-oxo-1,2,4-triazol-1-ium-1-carboxylate Traditional Name: 1-amino-5-keto-4-methyl-3-[methyl(propyl)amino]-1,2,4-triazol-1-ium-1-carboxylic acid phenyl ester Formula: C14H20N5O3+ MolecularWeight: 306.3403

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=N[N+](C(=O)N1C)(C(=O)OC2=CC=CC=C2)N

Isomeric SMILES

CCCN(C)C1=N[N+](C(=O)N1C)(C(=O)OC2=CC=CC=C2)N

InChI

InChI=1S/C14H20N5O3/c1-4-10-17(2)12-16-19(15,13(20)18(12)3)14(21)22-11-8-6-5-7-9-11/h5-9H,4,10,15H2,1-3H3/q+1