2-(3-phenylquinoxalin-2-yl)sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-(3-phenylquinoxalin-2-yl)sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-(3-phenylquinoxalin-2-yl)sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(3-phenyl-2-quinoxalinyl)thio]-N-[2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(3-phenylquinoxalin-2-yl)sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(3-phenylquinoxalin-2-yl)thio]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)CSC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)CSC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c28-21(24-13-16-27-14-7-2-8-15-27)17-29-23-22(18-9-3-1-4-10-18)25-19-11-5-6-12-20(19)26-23/h1,3-6,9-12H,2,7-8,13-17H2,(H,24,28)/p+1