dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]ethyl]azanium Traditional Name: 2-[(2-ketochromene-3-carbonyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H21N3O3S/c1-14-7-6-10-18-19(14)23-22(29-18)25(12-11-24(2)3)20(26)16-13-15-8-4-5-9-17(15)28-21(16)27/h4-10,13H,11-12H2,1-3H3/p+1