N-(1,3-benzodioxol-5-yl)-1-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[[5-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(5-bromo-2,3-dioxo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(5-bromo-2,3-dioxo-1-indolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(5-bromo-2,3-diketo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H21BrN3O5+ MolecularWeight: 487.32324

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)Br)C(=O)C4=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)Br)C(=O)C4=O

InChI

InChI=1S/C22H20BrN3O5/c23-14-1-3-17-16(9-14)20(27)22(29)26(17)11-25-7-5-13(6-8-25)21(28)24-15-2-4-18-19(10-15)31-12-30-18/h1-4,9-10,13H,5-8,11-12H2,(H,24,28)/p+1