1-(benzotriazol-2-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-yl-ethanimine

Systemtic Name: 1-(benzotriazol-2-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-yl-ethanimine Openeye Name: 1-(benzotriazol-2-yl)-2-morpholin-4-ium-4-yl-N-(p-tolylsulfonylmethyl)ethanimine CAS Name: 1-(2-benzotriazolyl)-N-[(4-methylphenyl)sulfonylmethyl]-2-(4-morpholin-4-iumyl)ethanimine IUPAC Name: 1-(benzotriazol-2-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-ylethanimine Traditional Name: [1-(benzotriazol-2-yl)-2-morpholin-4-ium-4-yl-ethylidene]-(tosylmethyl)amine Formula: C20H24N5O3S+ MolecularWeight: 414.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C[NH+]2CCOCC2)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C[NH+]2CCOCC2)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C20H23N5O3S/c1-16-6-8-17(9-7-16)29(26,27)15-21-20(14-24-10-12-28-13-11-24)25-22-18-4-2-3-5-19(18)23-25/h2-9H,10-15H2,1H3/p+1