3-azanyl-N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]pyrazinamide Formula: C15H21N6OS+ MolecularWeight: 333.43184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=NC=CN=C3N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C15H20N6OS/c16-13-12(17-5-6-18-13)14(22)20-15-19-11(10-23-15)9-21-7-3-1-2-4-8-21/h5-6,10H,1-4,7-9H2,(H2,16,18)(H,19,20,22)/p+1