propyl 4-[(6-azanylpyridin-1-ium-3-yl)amino]benzoate

Systemtic Name: propyl 4-[(6-azanylpyridin-1-ium-3-yl)amino]benzoate Openeye Name: propyl 4-[(6-aminopyridin-1-ium-3-yl)amino]benzoate CAS Name: 4-[(6-amino-3-pyridin-1-iumyl)amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(6-aminopyridin-1-ium-3-yl)amino]benzoate Traditional Name: 4-[(6-aminopyridin-1-ium-3-yl)amino]benzoic acid propyl ester Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2/c1-2-9-20-15(19)11-3-5-12(6-4-11)18-13-7-8-14(16)17-10-13/h3-8,10,18H,2,9H2,1H3,(H2,16,17)/p+1