2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-ketochromene-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C23H24N3O3S+ MolecularWeight: 422.51996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H23N3O3S/c1-4-15-9-10-18-20(13-15)30-23(24-18)26(12-11-25(2)3)21(27)17-14-16-7-5-6-8-19(16)29-22(17)28/h5-10,13-14H,4,11-12H2,1-3H3/p+1