[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)methyl]-methyl-ammonium CAS Name: [4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-methylazanium Traditional Name: benzyl-[(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)methyl]-methyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+](C)CC2=CC=CC=C2)C)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NN1C[NH+](C)CC2=CC=CC=C2)C)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O2S/c1-17-22(29(27,28)26-14-13-20-11-7-8-12-21(20)26)18(2)25(23-17)16-24(3)15-19-9-5-4-6-10-19/h4-12H,13-16H2,1-3H3/p+1