butyl 5-azanyl-1-methyl-benzimidazol-1-ium-1-carboxylate

Systemtic Name: butyl 5-azanyl-1-methyl-benzimidazol-1-ium-1-carboxylate Openeye Name: butyl 5-amino-1-methyl-benzimidazol-1-ium-1-carboxylate CAS Name: 5-amino-1-methyl-1-benzimidazol-1-iumcarboxylic acid butyl ester IUPAC Name: butyl 5-amino-1-methylbenzimidazol-1-ium-1-carboxylate Traditional Name: 5-amino-1-methyl-benzimidazol-1-ium-1-carboxylic acid butyl ester Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)[N+]1(C=NC2=C1C=CC(=C2)N)C

Isomeric SMILES

CCCCOC(=O)[N+]1(C=NC2=C1C=CC(=C2)N)C

InChI

InChI=1S/C13H18N3O2/c1-3-4-7-18-13(17)16(2)9-15-11-8-10(14)5-6-12(11)16/h5-6,8-9H,3-4,7,14H2,1-2H3/q+1