2-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H31N3O2S/c1-16(2)9-12-24-20(13-22-21(24)27(25,26)17(3)4)15-23-11-10-18-7-5-6-8-19(18)14-23/h5-8,13,16-17H,9-12,14-15H2,1-4H3/p+1