methyl 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoate

Systemtic Name: methyl 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetic acid methyl ester Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC

InChI

InChI=1S/C14H19N3O2/c1-3-4-9-16-11-7-5-6-8-12(11)17(14(16)15)10-13(18)19-2/h5-8,15H,3-4,9-10H2,1-2H3/p+1