6-azanyl-5-(4-methylphenyl)sulfonyl-4-(2,3,4-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-5-(4-methylphenyl)sulfonyl-4-(2,3,4-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-5-(p-tolylsulfonyl)-4-(2,3,4-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-5-(4-methylphenyl)sulfonyl-4-(2,3,4-trimethoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-5-(4-methylphenyl)sulfonyl-4-(2,3,4-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-5-tosyl-4-(2,3,4-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C22H22N3O5S+ MolecularWeight: 440.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C[NH+]=C2N)C#N)C3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C[NH+]=C2N)C#N)C3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H21N3O5S/c1-13-5-7-15(8-6-13)31(26,27)21-18(14(11-23)12-25-22(21)24)16-9-10-17(28-2)20(30-4)19(16)29-3/h5-10,12H,1-4H3,(H2,24,25)/p+1