[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium

Systemtic Name: [3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium Openeye Name: [3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: [3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=CN=C(N3CC4CCCCC4)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=CN=C(N3CC4CCCCC4)S(=O)(=O)C

InChI

InChI=1S/C23H30N4O2S/c1-26(16-20-10-6-9-19-13-24-12-11-22(19)20)17-21-14-25-23(30(2,28)29)27(21)15-18-7-4-3-5-8-18/h6,9-14,18H,3-5,7-8,15-17H2,1-2H3/p+1