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

Systemtic Name: butyl 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: butyl 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)acetic acid butyl ester IUPAC Name: butyl 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetic acid butyl ester Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2/c1-3-5-11-19-14-9-7-8-10-15(14)20(17(19)18)13-16(21)22-12-6-4-2/h7-10,18H,3-6,11-13H2,1-2H3/p+1