N-butyl-6-[(1-methyl-1,2,4-triazol-4-ium-4-yl)carbamoyl]naphthalene-2-carboximidate

Systemtic Name: N-butyl-6-[(1-methyl-1,2,4-triazol-4-ium-4-yl)carbamoyl]naphthalene-2-carboximidate Openeye Name: N-butyl-6-[(1-methyl-1,2,4-triazol-4-ium-4-yl)carbamoyl]naphthalene-2-carboximidate CAS Name: N-butyl-6-[[(1-methyl-1,2,4-triazol-4-ium-4-yl)amino]-oxomethyl]-2-naphthalenecarboximidate IUPAC Name: N-butyl-6-[(1-methyl-1,2,4-triazol-4-ium-4-yl)carbamoyl]naphthalene-2-carboximidate Traditional Name: N-butyl-6-[(1-methyl-1,2,4-triazol-4-ium-4-yl)carbamoyl]naphthalene-2-carboximidate Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC2=C(C=C1)C=C(C=C2)C(=O)N[N+]3=CN(N=C3)C)[O-]

Isomeric SMILES

CCCCN=C(C1=CC2=C(C=C1)C=C(C=C2)C(=O)N[N+]3=CN(N=C3)C)[O-]

InChI

InChI=1S/C19H21N5O2/c1-3-4-9-20-18(25)16-7-5-15-11-17(8-6-14(15)10-16)19(26)22-24-12-21-23(2)13-24/h5-8,10-13H,3-4,9H2,1-2H3,(H-,20,22,25,26)