N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-2-(2-methoxyphenoxy)ethanamide

Systemtic Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[(E)-[1-(1-azepan-1-iumylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide Formula: C24H28BrN4O4+ MolecularWeight: 516.40752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(=O)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)N/N=C/2\C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H27BrN4O4/c1-32-20-8-4-5-9-21(20)33-15-22(30)26-27-23-18-14-17(25)10-11-19(18)29(24(23)31)16-28-12-6-2-3-7-13-28/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3,(H,26,30)/p+1/b27-23+