azanium 2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]pyridine-3-carboxylate

Systemtic Name: azanium 2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]pyridine-3-carboxylate Openeye Name: ammonium 2-[[1-(4-pyridyl)-4-piperidyl]methylamino]pyridine-3-carboxylate CAS Name: ammonium 2-[(1-pyridin-4-yl-4-piperidinyl)methylamino]-3-pyridinecarboxylate IUPAC Name: azanium 2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]pyridine-3-carboxylate Traditional Name: ammonium 2-[[1-(4-pyridyl)-4-piperidyl]methylamino]nicotinate Formula: C17H23N5O2 MolecularWeight: 329.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=C(C=CC=N2)C(=O)[O-])C3=CC=NC=C3.[NH4+]

Isomeric SMILES

C1CN(CCC1CNC2=C(C=CC=N2)C(=O)[O-])C3=CC=NC=C3.[NH4+]

InChI

InChI=1S/C17H20N4O2.H3N/c22-17(23)15-2-1-7-19-16(15)20-12-13-5-10-21(11-6-13)14-3-8-18-9-4-14;/h1-4,7-9,13H,5-6,10-12H2,(H,19,20)(H,22,23);1H3