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

Systemtic Name: 1-(benzotriazol-1-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-piperidin-1-ium-1-yl-ethanimine Openeye Name: 1-(benzotriazol-1-yl)-2-piperidin-1-ium-1-yl-N-(p-tolylsulfonylmethyl)ethanimine CAS Name: 1-(1-benzotriazolyl)-N-[(4-methylphenyl)sulfonylmethyl]-2-(1-piperidin-1-iumyl)ethanimine IUPAC Name: 1-(benzotriazol-1-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-piperidin-1-ium-1-ylethanimine Traditional Name: [1-(benzotriazol-1-yl)-2-piperidin-1-ium-1-yl-ethylidene]-(tosylmethyl)amine Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C[NH+]2CCCCC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C[NH+]2CCCCC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H25N5O2S/c1-17-9-11-18(12-10-17)29(27,28)16-22-21(15-25-13-5-2-6-14-25)26-20-8-4-3-7-19(20)23-24-26/h3-4,7-12H,2,5-6,13-16H2,1H3/p+1