N-methyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-methyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-methyl-N-[2-(methylamino)-2-oxo-ethyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-keto-2-(methylamino)ethyl]-N-methyl-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H26N4O4S/c1-21-19(25)14-22(2)20(26)15-23-9-11-24(12-10-23)29(27,28)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,21,25)/p+1