ethyl 6-(1,4-diazepan-4-ium-1-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-(1,4-diazepan-4-ium-1-yl)pyridine-3-carboxylate Openeye Name: ethyl 6-(1,4-diazepan-4-ium-1-yl)pyridine-3-carboxylate CAS Name: 6-(1,4-diazepan-4-ium-1-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,4-diazepan-4-ium-1-yl)pyridine-3-carboxylate Traditional Name: 6-(1,4-diazepan-4-ium-1-yl)nicotinic acid ethyl ester Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCC[NH2+]CC2

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCC[NH2+]CC2

InChI

InChI=1S/C13H19N3O2/c1-2-18-13(17)11-4-5-12(15-10-11)16-8-3-6-14-7-9-16/h4-5,10,14H,2-3,6-9H2,1H3/p+1