N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]pyrazine-2-carboxamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]pyrazine-2-carboxamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]pyrazinamide Formula: C18H24N5O+ MolecularWeight: 326.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NC=CN=C3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NC=CN=C3

InChI

InChI=1S/C18H23N5O/c24-18(16-14-19-9-10-20-16)22-13-15-7-6-8-21-17(15)23-11-4-2-1-3-5-12-23/h6-10,14H,1-5,11-13H2,(H,22,24)/p+1