N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]quinoline-8-sulfonamide

Systemtic Name: N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]quinoline-8-sulfonamide Openeye Name: N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]quinoline-8-sulfonamide CAS Name: N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]-8-quinolinesulfonamide IUPAC Name: N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]quinoline-8-sulfonamide Traditional Name: N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]quinoline-8-sulfonamide Formula: C16H19N4O2S+ MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C)C

Isomeric SMILES

CC1=N[N+](=C(C1CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C)C

InChI

InChI=1S/C16H19N4O2S/c1-11-14(12(2)20(3)19-11)10-18-23(21,22)15-8-4-6-13-7-5-9-17-16(13)15/h4-9,14,18H,10H2,1-3H3/q+1