6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]pyridin-1-ium-3-sulfonamide Formula: C17H20N5O2S+ MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H19N5O2S/c1-12-16(13(2)22(21-12)14-6-4-3-5-7-14)11-20-17-9-8-15(10-19-17)25(18,23)24/h3-10H,11H2,1-2H3,(H,19,20)(H2,18,23,24)/p+1