ethyl 4-(3-azanyl-2-methyl-benzimidazol-1-ium-1-yl)butanoate

Systemtic Name: ethyl 4-(3-azanyl-2-methyl-benzimidazol-1-ium-1-yl)butanoate Openeye Name: ethyl 4-(3-amino-2-methyl-benzimidazol-1-ium-1-yl)butanoate CAS Name: 4-(3-amino-2-methyl-1-benzimidazol-1-iumyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(3-amino-2-methylbenzimidazol-1-ium-1-yl)butanoate Traditional Name: 4-(3-amino-2-methyl-benzimidazol-1-ium-1-yl)butyric acid ethyl ester Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[N+]1=C(N(C2=CC=CC=C21)N)C

Isomeric SMILES

CCOC(=O)CCC[N+]1=C(N(C2=CC=CC=C21)N)C

InChI

InChI=1S/C14H20N3O2/c1-3-19-14(18)9-6-10-16-11(2)17(15)13-8-5-4-7-12(13)16/h4-5,7-8H,3,6,9-10,15H2,1-2H3/q+1