N-methyl-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N-methyl-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N-methyl-N-(p-tolylmethyl)piperazin-4-ium-1-sulfonamide CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N-methyl-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N-methyl-N-(4-methylbenzyl)piperazin-4-ium-1-sulfonamide Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C13H21N3O2S/c1-12-3-5-13(6-4-12)11-15(2)19(17,18)16-9-7-14-8-10-16/h3-6,14H,7-11H2,1-2H3/p+1