4-methylsulfanyl-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-(methylthio)-3-nitro-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-(methylthio)-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O3S/c1-23-15-7-6-13(12-14(15)19(21)22)16(20)17-8-5-11-18-9-3-2-4-10-18/h6-7,12H,2-5,8-11H2,1H3,(H,17,20)/p+1