2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-methyl-azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-methyl-ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-methylammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-methylazanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-methyl-ammonium Formula: C23H34N5O2S+ MolecularWeight: 444.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CCN3C(=CC(=N3)C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CCN3C(=CC(=N3)C)C

InChI

InChI=1S/C23H33N5O2S/c1-5-31(29,30)23-24-17-22(27(23)13-9-12-21-10-7-6-8-11-21)18-26(4)14-15-28-20(3)16-19(2)25-28/h6-8,10-11,16-17H,5,9,12-15,18H2,1-4H3/p+1