N-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazine-2-carboxamide

Systemtic Name: N-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazine-2-carboxamide Openeye Name: N-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazine-2-carboxamide CAS Name: N-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazine-2-carboxamide Traditional Name: N-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazinamide Formula: C15H20N6O+2 MolecularWeight: 300.3589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CNC(=O)C2=NC=CN=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CNC(=O)C2=NC=CN=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H18N6O/c22-15(13-11-16-5-6-17-13)19-12-20-7-9-21(10-8-20)14-3-1-2-4-18-14/h1-6,11H,7-10,12H2,(H,19,22)/p+2