N,N-dimethyl-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[(4-nitroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-[(4-nitrophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C15H22N5O3S+ MolecularWeight: 352.43188

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O3S/c1-17(2)14(21)11-18-7-9-19(10-8-18)15(24)16-12-3-5-13(6-4-12)20(22)23/h3-6H,7-11H2,1-2H3,(H,16,24)/p+1