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

Systemtic Name: N-methyl-N-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-sulfonamide Openeye Name: N-methyl-N-(p-tolylmethyl)-1,4-diazepan-4-ium-1-sulfonamide CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-sulfonamide IUPAC Name: N-methyl-N-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-sulfonamide Traditional Name: N-methyl-N-(4-methylbenzyl)-1,4-diazepan-4-ium-1-sulfonamide Formula: C14H24N3O2S+ MolecularWeight: 298.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C14H23N3O2S/c1-13-4-6-14(7-5-13)12-16(2)20(18,19)17-10-3-8-15-9-11-17/h4-7,15H,3,8-12H2,1-2H3/p+1