N-butyl-4-[(3-methylbenzimidazol-3-ium-1-yl)carbamoyl]benzenecarboximidate

Systemtic Name: N-butyl-4-[(3-methylbenzimidazol-3-ium-1-yl)carbamoyl]benzenecarboximidate Openeye Name: N-butyl-4-[(3-methylbenzimidazol-3-ium-1-yl)carbamoyl]benzenecarboximidate CAS Name: N-butyl-4-[[(3-methyl-1-benzimidazol-3-iumyl)amino]-oxomethyl]benzenecarboximidate IUPAC Name: N-butyl-4-[(3-methylbenzimidazol-3-ium-1-yl)carbamoyl]benzenecarboximidate Traditional Name: N-butyl-4-[(3-methylbenzimidazol-3-ium-1-yl)carbamoyl]benzenecarboximidate Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=C(C=C1)C(=O)NN2C=[N+](C3=CC=CC=C32)C)[O-]

Isomeric SMILES

CCCCN=C(C1=CC=C(C=C1)C(=O)NN2C=[N+](C3=CC=CC=C32)C)[O-]

InChI

InChI=1S/C20H22N4O2/c1-3-4-13-21-19(25)15-9-11-16(12-10-15)20(26)22-24-14-23(2)17-7-5-6-8-18(17)24/h5-12,14H,3-4,13H2,1-2H3,(H-,21,22,25,26)