N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-methyl-benzenesulfonamide Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-12-3-5-13(6-4-12)19(17,18)15-7-2-9-16-10-8-14-11-16/h3-6,8,10-11,15H,2,7,9H2,1H3/p+1