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

Systemtic Name: N-[(E)-[5-bromanyl-2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[(E)-[5-bromo-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[(E)-[5-bromo-2-oxo-1-(1-pyrrolidin-1-iumylmethyl)-3-indolylidene]amino]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[(E)-[5-bromo-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide Formula: C22H24BrN4O4+ MolecularWeight: 488.35436

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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+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)N/N=C/2\C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCC4

InChI

InChI=1S/C22H23BrN4O4/c1-30-18-6-2-3-7-19(18)31-13-20(28)24-25-21-16-12-15(23)8-9-17(16)27(22(21)29)14-26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,24,28)/p+1/b25-21+