2-azanyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide

Systemtic Name: 2-azanyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Formula: C17H23N5O+2 MolecularWeight: 313.39742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC(=[NH+]C=C3)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC(=[NH+]C=C3)N

InChI

InChI=1S/C17H21N5O/c18-16-10-13(6-8-20-16)17(23)21-15-5-3-9-22(12-15)11-14-4-1-2-7-19-14/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H2,18,20)(H,21,23)/p+2/t15-/m0/s1