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

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-[2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CCC3=CN(N=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CCC3=CN(N=C3)C

InChI

InChI=1S/C21H29N5O2S/c1-4-29(27,28)21-22-15-20(26(21)13-11-18-8-6-5-7-9-18)17-24(2)12-10-19-14-23-25(3)16-19/h5-9,14-16H,4,10-13,17H2,1-3H3/p+1