N-butyl-6-[(3-methylbenzotriazol-3-ium-1-yl)carbamoyl]naphthalene-2-carboximidate

Systemtic Name: N-butyl-6-[(3-methylbenzotriazol-3-ium-1-yl)carbamoyl]naphthalene-2-carboximidate Openeye Name: N-butyl-6-[(3-methylbenzotriazol-3-ium-1-yl)carbamoyl]naphthalene-2-carboximidate CAS Name: N-butyl-6-[[(3-methyl-1-benzotriazol-3-iumyl)amino]-oxomethyl]-2-naphthalenecarboximidate IUPAC Name: N-butyl-6-[(3-methylbenzotriazol-3-ium-1-yl)carbamoyl]naphthalene-2-carboximidate Traditional Name: N-butyl-6-[(3-methylbenzotriazol-3-ium-1-yl)carbamoyl]naphthalene-2-carboximidate Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC2=C(C=C1)C=C(C=C2)C(=O)NN3C4=CC=CC=C4[N+](=N3)C)[O-]

Isomeric SMILES

CCCCN=C(C1=CC2=C(C=C1)C=C(C=C2)C(=O)NN3C4=CC=CC=C4[N+](=N3)C)[O-]

InChI

InChI=1S/C23H23N5O2/c1-3-4-13-24-22(29)18-11-9-17-15-19(12-10-16(17)14-18)23(30)25-28-21-8-6-5-7-20(21)27(2)26-28/h5-12,14-15H,3-4,13H2,1-2H3,(H-,24,25,26,29,30)