[2-(benzotriazol-1-yl)-2-[(4-methylphenyl)sulfonylmethylimino]ethyl]-dimethyl-azanium

Systemtic Name: [2-(benzotriazol-1-yl)-2-[(4-methylphenyl)sulfonylmethylimino]ethyl]-dimethyl-azanium Openeye Name: [2-(benzotriazol-1-yl)-2-(p-tolylsulfonylmethylimino)ethyl]-dimethyl-ammonium CAS Name: [2-(1-benzotriazolyl)-2-[(4-methylphenyl)sulfonylmethylimino]ethyl]-dimethylammonium IUPAC Name: [2-(benzotriazol-1-yl)-2-[(4-methylphenyl)sulfonylmethylimino]ethyl]-dimethylazanium Traditional Name: [2-(benzotriazol-1-yl)-2-(tosylmethylimino)ethyl]-dimethyl-ammonium Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C[NH+](C)C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C[NH+](C)C)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H21N5O2S/c1-14-8-10-15(11-9-14)26(24,25)13-19-18(12-22(2)3)23-17-7-5-4-6-16(17)20-21-23/h4-11H,12-13H2,1-3H3/p+1