2-(4-nitrophenyl)sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O3S/c1-2-9-18-10-7-13(8-11-18)17-16(20)12-23-15-5-3-14(4-6-15)19(21)22/h3-6,13H,2,7-12H2,1H3,(H,17,20)/p+1