N-(1,3-benzodioxol-5-yl)-1-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H24BrN2O4+ MolecularWeight: 484.36236

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=C4C=CC(=C5)Br)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=C4C=CC(=C5)Br)O

InChI

InChI=1S/C24H23BrN2O4/c25-17-2-4-19-16(11-17)1-5-21(28)20(19)13-27-9-7-15(8-10-27)24(29)26-18-3-6-22-23(12-18)31-14-30-22/h1-6,11-12,15,28H,7-10,13-14H2,(H,26,29)/p+1