N6-butyl-N2-(1-methyl-1,2,4-triazol-4-ium-4-yl)naphthalene-2,6-dicarboxamide

Systemtic Name: N6-butyl-N2-(1-methyl-1,2,4-triazol-4-ium-4-yl)naphthalene-2,6-dicarboxamide Openeye Name: N6-butyl-N2-(1-methyl-1,2,4-triazol-4-ium-4-yl)naphthalene-2,6-dicarboxamide CAS Name: N6-butyl-N2-(1-methyl-1,2,4-triazol-4-ium-4-yl)naphthalene-2,6-dicarboxamide IUPAC Name: 6-N-butyl-2-N-(1-methyl-1,2,4-triazol-4-ium-4-yl)naphthalene-2,6-dicarboxamide Traditional Name: N'-butyl-N-(1-methyl-1,2,4-triazol-4-ium-4-yl)naphthalene-2,6-dicarboxamide Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1