(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CN(N=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CN(N=C3)C

InChI

InChI=1S/C20H27N5O2S/c1-4-28(26,27)20-21-13-19(16-23(2)14-18-12-22-24(3)15-18)25(20)11-10-17-8-6-5-7-9-17/h5-9,12-13,15H,4,10-11,14,16H2,1-3H3/p+1