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

Systemtic Name: 1-(benzotriazol-1-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-pyrrolidin-1-ium-1-yl-ethanimine Openeye Name: 1-(benzotriazol-1-yl)-N-(p-tolylsulfonylmethyl)-2-pyrrolidin-1-ium-1-yl-ethanimine CAS Name: 1-(1-benzotriazolyl)-N-[(4-methylphenyl)sulfonylmethyl]-2-(1-pyrrolidin-1-iumyl)ethanimine IUPAC Name: 1-(benzotriazol-1-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-pyrrolidin-1-ium-1-ylethanimine Traditional Name: [1-(benzotriazol-1-yl)-2-pyrrolidin-1-ium-1-yl-ethylidene]-(tosylmethyl)amine Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C[NH+]2CCCC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C[NH+]2CCCC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H23N5O2S/c1-16-8-10-17(11-9-16)28(26,27)15-21-20(14-24-12-4-5-13-24)25-19-7-3-2-6-18(19)22-23-25/h2-3,6-11H,4-5,12-15H2,1H3/p+1