ethyl N-[5-azanyl-4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]carbamate

Systemtic Name: ethyl N-[5-azanyl-4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]carbamate Openeye Name: ethyl N-[5-amino-4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]carbamate CAS Name: N-[5-amino-4-(1,3-dimethyl-2-benzimidazol-3-iumyl)-3-oxo-2H-pyrrol-1-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[5-amino-4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]carbamate Traditional Name: N-[2-amino-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4-keto-2-pyrrolin-1-yl]carbamic acid ethyl ester Formula: C16H20N5O3+ MolecularWeight: 330.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN1CC(=O)C(=C1N)C2=[N+](C3=CC=CC=C3N2C)C

Isomeric SMILES

CCOC(=O)NN1CC(=O)C(=C1N)C2=[N+](C3=CC=CC=C3N2C)C

InChI

InChI=1S/C16H19N5O3/c1-4-24-16(23)18-21-9-12(22)13(14(21)17)15-19(2)10-7-5-6-8-11(10)20(15)3/h5-8,17H,4,9H2,1-3H3,(H,18,23)/p+1