ethyl 4-[[5-bromanyl-1-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[5-bromanyl-1-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]benzoate Openeye Name: ethyl 4-[[5-bromo-1-(morpholin-4-ium-4-ylmethyl)-2-oxo-indolin-3-ylidene]amino]benzoate CAS Name: 4-[[5-bromo-1-(4-morpholin-4-iumylmethyl)-2-oxo-3-indolylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-bromo-1-(morpholin-4-ium-4-ylmethyl)-2-oxoindol-3-ylidene]amino]benzoate Traditional Name: 4-[[5-bromo-2-keto-1-(morpholin-4-ium-4-ylmethyl)indolin-3-ylidene]amino]benzoic acid ethyl ester Formula: C22H23BrN3O4+ MolecularWeight: 473.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H22BrN3O4/c1-2-30-22(28)15-3-6-17(7-4-15)24-20-18-13-16(23)5-8-19(18)26(21(20)27)14-25-9-11-29-12-10-25/h3-8,13H,2,9-12,14H2,1H3/p+1