N-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[methyl-(1-methylpiperidin-1-ium-4-yl)thiocarbamoyl]-4-nitro-benzamide Formula: C15H21N4O3S+ MolecularWeight: 337.41724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-17-9-7-12(8-10-17)18(2)15(23)16-14(20)11-3-5-13(6-4-11)19(21)22/h3-6,12H,7-10H2,1-2H3,(H,16,20,23)/p+1