methanesulfonic acid; 2-morpholin-4-yl-1,1-bis(oxidanylidene)-2-(1-phenylethyl)-1,2-benzothiazol-2-ium-3-one

Systemtic Name: methanesulfonic acid; 2-morpholin-4-yl-1,1-bis(oxidanylidene)-2-(1-phenylethyl)-1,2-benzothiazol-2-ium-3-one Openeye Name: methanesulfonic acid; 2-morpholino-1,1-dioxo-2-(1-phenylethyl)-1,2-benzothiazol-2-ium-3-one CAS Name: methanesulfonic acid; 2-(4-morpholinyl)-1,1-dioxo-2-(1-phenylethyl)-1,2-benzothiazol-2-ium-3-one IUPAC Name: methanesulfonic acid; 2-morpholin-4-yl-1,1-dioxo-2-(1-phenylethyl)-1,2-benzothiazol-2-ium-3-one Traditional Name: 1,1-diketo-2-morpholino-2-(1-phenylethyl)-1,2-benzothiazol-2-ium-3-one; mesylic acid Formula: C20H25N2O7S2+ MolecularWeight: 469.5517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2(C(=O)C3=CC=CC=C3S2(=O)=O)N4CCOCC4.CS(=O)(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)[N+]2(C(=O)C3=CC=CC=C3S2(=O)=O)N4CCOCC4.CS(=O)(=O)O

InChI

InChI=1S/C19H21N2O4S.CH4O3S/c1-15(16-7-3-2-4-8-16)21(20-11-13-25-14-12-20)19(22)17-9-5-6-10-18(17)26(21,23)24;1-5(2,3)4/h2-10,15H,11-14H2,1H3;1H3,(H,2,3,4)/q+1;