8-[(3-methylimidazol-3-ium-1-yl)methyl]-3-propan-2-yl-1H-benzo[e][2,1]benzothiazole 2,2-dioxide

Systemtic Name: 8-[(3-methylimidazol-3-ium-1-yl)methyl]-3-propan-2-yl-1H-benzo[e][2,1]benzothiazole 2,2-dioxide Openeye Name: 3-isopropyl-8-[(3-methylimidazol-3-ium-1-yl)methyl]-1H-benzo[e][2,1]benzothiazole 2,2-dioxide CAS Name: 8-[(3-methyl-1-imidazol-3-iumyl)methyl]-3-propan-2-yl-1H-benzo[e][2,1]benzothiazole 2,2-dioxide IUPAC Name: 8-[(3-methylimidazol-3-ium-1-yl)methyl]-3-propan-2-yl-1H-benzo[e][2,1]benzothiazole 2,2-dioxide Traditional Name: 3-isopropyl-8-[(3-methylimidazol-3-ium-1-yl)methyl]-1H-benzo[e][2,1]benzothiazole 2,2-dioxide Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(CS1(=O)=O)C3=C(C=CC(=C3)CN4C=C[N+](=C4)C)C=C2

Isomeric SMILES

CC(C)N1C2=C(CS1(=O)=O)C3=C(C=CC(=C3)CN4C=C[N+](=C4)C)C=C2

InChI

InChI=1S/C19H22N3O2S/c1-14(2)22-19-7-6-16-5-4-15(11-21-9-8-20(3)13-21)10-17(16)18(19)12-25(22,23)24/h4-10,13-14H,11-12H2,1-3H3/q+1