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

Systemtic Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]pyridin-1-ium-3-sulfonamide Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-13-17(14(2)23(21-13)15-7-5-4-6-8-15)12-22(3)18-10-9-16(11-20-18)26(19,24)25/h4-11H,12H2,1-3H3,(H2,19,24,25)/p+1