4-methyl-N-(3-piperazin-4-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(3-piperazin-4-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 4-methyl-N-(3-piperazin-4-ium-1-ylpropyl)benzenesulfonamide CAS Name: 4-methyl-N-[3-(1-piperazin-4-iumyl)propyl]benzenesulfonamide IUPAC Name: 4-methyl-N-(3-piperazin-4-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 4-methyl-N-(3-piperazin-4-ium-1-ylpropyl)benzenesulfonamide Formula: C14H24N3O2S+ MolecularWeight: 298.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCN2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCN2CC[NH2+]CC2

InChI

InChI=1S/C14H23N3O2S/c1-13-3-5-14(6-4-13)20(18,19)16-7-2-10-17-11-8-15-9-12-17/h3-6,15-16H,2,7-12H2,1H3/p+1