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

Systemtic Name: 5-chloranyl-2-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 5-chloro-2-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 5-chloro-2-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 5-chloro-2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 5-chloro-2-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H25ClN3O2S+ MolecularWeight: 382.928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC3=C(C2)C=CC=C3Cl

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC3=C(C2)C=CC=C3Cl

InChI

InChI=1S/C18H24ClN3O2S/c1-13(2)10-22-15(9-20-18(22)25(3,23)24)12-21-8-7-16-14(11-21)5-4-6-17(16)19/h4-6,9,13H,7-8,10-12H2,1-3H3/p+1