5-chloranyl-2-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 5-chloranyl-2-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 5-chloro-2-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 5-chloro-2-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 5-chloro-2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 5-chloro-2-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H29ClN3O2S+ MolecularWeight: 422.99186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCC4=C(C3)C=CC=C4Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCC4=C(C3)C=CC=C4Cl

InChI

InChI=1S/C21H28ClN3O2S/c1-28(26,27)21-23-12-18(25(21)13-16-6-3-2-4-7-16)15-24-11-10-19-17(14-24)8-5-9-20(19)22/h5,8-9,12,16H,2-4,6-7,10-11,13-15H2,1H3/p+1