ethyl 4-[(3-azanylpyridin-1-ium-2-yl)amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3-azanylpyridin-1-ium-2-yl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-aminopyridin-1-ium-2-yl)amino]piperidine-1-carboxylate CAS Name: 4-[(3-amino-2-pyridin-1-iumyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-aminopyridin-1-ium-2-yl)amino]piperidine-1-carboxylate Traditional Name: 4-[(3-aminopyridin-1-ium-2-yl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C13H21N4O2+ MolecularWeight: 265.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C=CC=[NH+]2)N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C=CC=[NH+]2)N

InChI

InChI=1S/C13H20N4O2/c1-2-19-13(18)17-8-5-10(6-9-17)16-12-11(14)4-3-7-15-12/h3-4,7,10H,2,5-6,8-9,14H2,1H3,(H,15,16)/p+1