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

Systemtic Name: butyl 2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: butyl 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)acetic acid butyl ester IUPAC Name: butyl 2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetic acid butyl ester Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-3-5-11-21-15(20)12-19-14-9-7-6-8-13(14)18(10-4-2)16(19)17/h6-9,17H,3-5,10-12H2,1-2H3/p+1