4-[1-(3-methylimidazol-3-ium-1-yl)pentan-2-yl]-1-propan-2-yl-3H-2,1-benzothiazole 2,2-dioxide

Systemtic Name: 4-[1-(3-methylimidazol-3-ium-1-yl)pentan-2-yl]-1-propan-2-yl-3H-2,1-benzothiazole 2,2-dioxide Openeye Name: 1-isopropyl-4-[1-[(3-methylimidazol-3-ium-1-yl)methyl]butyl]-3H-2,1-benzothiazole 2,2-dioxide CAS Name: 4-[1-(3-methyl-1-imidazol-3-iumyl)pentan-2-yl]-1-propan-2-yl-3H-2,1-benzothiazole 2,2-dioxide IUPAC Name: 4-[1-(3-methylimidazol-3-ium-1-yl)pentan-2-yl]-1-propan-2-yl-3H-2,1-benzothiazole 2,2-dioxide Traditional Name: 1-isopropyl-4-[1-[(3-methylimidazol-3-ium-1-yl)methyl]butyl]-3H-2,1-benzothiazole 2,2-dioxide Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=C[N+](=C1)C)C2=C3CS(=O)(=O)N(C3=CC=C2)C(C)C

Isomeric SMILES

CCCC(CN1C=C[N+](=C1)C)C2=C3CS(=O)(=O)N(C3=CC=C2)C(C)C

InChI

InChI=1S/C19H28N3O2S/c1-5-7-16(12-21-11-10-20(4)14-21)17-8-6-9-19-18(17)13-25(23,24)22(19)15(2)3/h6,8-11,14-16H,5,7,12-13H2,1-4H3/q+1