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

Systemtic Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[(E)-[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-2-(2-methoxyphenoxy)acetamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(=O)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)N/N=C/2\C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H28N4O4/c1-31-20-12-6-7-13-21(20)32-16-22(29)25-26-23-18-10-4-5-11-19(18)28(24(23)30)17-27-14-8-2-3-9-15-27/h4-7,10-13H,2-3,8-9,14-17H2,1H3,(H,25,29)/p+1/b26-23+