N'-[(E)-[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-N-phenyl-ethanediamide

Systemtic Name: N'-[(E)-[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-N-phenyl-ethanediamide Openeye Name: N'-[(E)-[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-N-phenyl-oxamide CAS Name: N'-[(E)-[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]-N-phenyloxamide IUPAC Name: N'-[(E)-[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-N-phenyloxamide Traditional Name: N'-[(E)-[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-N-phenyl-oxamide Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C(=O)NC4=CC=CC=C4)C2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3/C(=N\NC(=O)C(=O)NC4=CC=CC=C4)/C2=O

InChI

InChI=1S/C22H23N5O3/c28-20(23-16-9-3-1-4-10-16)21(29)25-24-19-17-11-5-6-12-18(17)27(22(19)30)15-26-13-7-2-8-14-26/h1,3-6,9-12H,2,7-8,13-15H2,(H,23,28)(H,25,29)/p+1/b24-19+