butyl 3-[(6-azanylpyridin-1-ium-3-yl)amino]benzoate

Systemtic Name: butyl 3-[(6-azanylpyridin-1-ium-3-yl)amino]benzoate Openeye Name: butyl 3-[(6-aminopyridin-1-ium-3-yl)amino]benzoate CAS Name: 3-[(6-amino-3-pyridin-1-iumyl)amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(6-aminopyridin-1-ium-3-yl)amino]benzoate Traditional Name: 3-[(6-aminopyridin-1-ium-3-yl)amino]benzoic acid butyl ester Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC2=C[NH+]=C(C=C2)N

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC2=C[NH+]=C(C=C2)N

InChI

InChI=1S/C16H19N3O2/c1-2-3-9-21-16(20)12-5-4-6-13(10-12)19-14-7-8-15(17)18-11-14/h4-8,10-11,19H,2-3,9H2,1H3,(H2,17,18)/p+1