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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]pyridine-2-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-pyridinecarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]picolinamide Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=CC=N3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C16H20N4OS/c21-15(14-7-3-4-8-17-14)19-16-18-13(12-22-16)11-20-9-5-1-2-6-10-20/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,18,19,21)/p+1