[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methyl-(4-pyrimidylmethyl)ammonium Formula: C20H32N5O3S+ MolecularWeight: 422.56478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC=NC=C1)CC2=CN=C(N2CCOC)S(=O)(=O)CC3CCCCC3

Isomeric SMILES

C[NH+](CC1=NC=NC=C1)CC2=CN=C(N2CCOC)S(=O)(=O)CC3CCCCC3

InChI

InChI=1S/C20H31N5O3S/c1-24(13-18-8-9-21-16-23-18)14-19-12-22-20(25(19)10-11-28-2)29(26,27)15-17-6-4-3-5-7-17/h8-9,12,16-17H,3-7,10-11,13-15H2,1-2H3/p+1