N-methyl-3-oxidanylidene-N-(phenylmethyl)piperazin-1-ium-1-sulfonamide

Systemtic Name: N-methyl-3-oxidanylidene-N-(phenylmethyl)piperazin-1-ium-1-sulfonamide Openeye Name: N-benzyl-N-methyl-3-oxo-piperazin-1-ium-1-sulfonamide CAS Name: N-methyl-3-oxo-N-(phenylmethyl)-1-piperazin-1-iumsulfonamide IUPAC Name: N-benzyl-N-methyl-3-oxopiperazin-1-ium-1-sulfonamide Traditional Name: N-benzyl-3-keto-N-methyl-piperazin-1-ium-1-sulfonamide Formula: C12H18N3O3S+ MolecularWeight: 284.35462

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)[NH+]2CCNC(=O)C2

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C12H17N3O3S/c1-14(9-11-5-3-2-4-6-11)19(17,18)15-8-7-13-12(16)10-15/h2-6H,7-10H2,1H3,(H,13,16)/p+1