N-butyl-4-[(1-methyl-4H-1,2,4-triazole-1,4-diium-4-yl)carbamoyl]benzenecarboximidate

Systemtic Name: N-butyl-4-[(1-methyl-4H-1,2,4-triazole-1,4-diium-4-yl)carbamoyl]benzenecarboximidate Openeye Name: N-butyl-4-[(1-methyl-4H-1,2,4-triazole-1,4-diium-4-yl)carbamoyl]benzenecarboximidate CAS Name: N-butyl-4-[[(1-methyl-4H-1,2,4-triazole-1,4-diium-4-yl)amino]-oxomethyl]benzenecarboximidate IUPAC Name: N-butyl-4-[(1-methyl-4H-1,2,4-triazole-1,4-diium-4-yl)carbamoyl]benzenecarboximidate Traditional Name: N-butyl-4-[(1-methyl-4H-1,2,4-triazole-1,4-diium-4-yl)carbamoyl]benzenecarboximidate Formula: C15H20N5O2+ MolecularWeight: 302.3516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=C(C=C1)C(=O)N[NH+]2C=N[N+](=C2)C)[O-]

Isomeric SMILES

CCCCN=C(C1=CC=C(C=C1)C(=O)N[NH+]2C=N[N+](=C2)C)[O-]

InChI

InChI=1S/C15H19N5O2/c1-3-4-9-16-14(21)12-5-7-13(8-6-12)15(22)18-20-10-17-19(2)11-20/h5-8,10-11H,3-4,9H2,1-2H3,(H-,16,18,21,22)/p+1