[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)-4-imidazolyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(4-pyrimidylmethyl)ammonium Formula: C21H32N5O2S+ MolecularWeight: 418.57608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC=NC=C1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

Isomeric SMILES

C[NH+](CC1=NC=NC=C1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

InChI

InChI=1S/C21H31N5O2S/c1-25(13-19-9-10-22-16-24-19)14-20-11-23-21(29(27,28)15-18-7-8-18)26(20)12-17-5-3-2-4-6-17/h9-11,16-18H,2-8,12-15H2,1H3/p+1