1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-(1,3-benzoxazol-2-ylthio)acetyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3)C(=O)N

InChI

InChI=1S/C20H26N4O3S/c21-18(26)20(24-10-4-1-5-11-24)8-12-23(13-9-20)17(25)14-28-19-22-15-6-2-3-7-16(15)27-19/h2-3,6-7H,1,4-5,8-14H2,(H2,21,26)/p+1