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

Systemtic Name: N-[(E)-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[(E)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[(E)-[5-bromo-2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[(E)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide Formula: C23H26BrN4O4+ MolecularWeight: 502.38094

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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+]4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)N/N=C/2\C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H25BrN4O4/c1-31-19-7-3-4-8-20(19)32-14-21(29)25-26-22-17-13-16(24)9-10-18(17)28(23(22)30)15-27-11-5-2-6-12-27/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,25,29)/p+1/b26-22+