[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)-4-imidazolyl]methyl-ethyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)ammonium Formula: C22H36N5O2S+ MolecularWeight: 434.61854

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C=CC=N1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

Isomeric SMILES

CC[NH+](CCN1C=CC=N1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

InChI

InChI=1S/C22H35N5O2S/c1-2-25(13-14-26-12-6-11-24-26)17-21-15-23-22(30(28,29)18-20-9-10-20)27(21)16-19-7-4-3-5-8-19/h6,11-12,15,19-20H,2-5,7-10,13-14,16-18H2,1H3/p+1