N-[(5-bromanyl-6-oxidanyl-naphthalen-2-yl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide

Systemtic Name: N-[(5-bromanyl-6-oxidanyl-naphthalen-2-yl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide Openeye Name: N-[(5-bromo-6-hydroxy-2-naphthyl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide CAS Name: N-[(5-bromo-6-hydroxy-2-naphthalenyl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide IUPAC Name: N-[(5-bromo-6-hydroxynaphthalen-2-yl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide Traditional Name: N-[(5-bromo-6-hydroxy-2-naphthyl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide Formula: C24H23BrN3O2+ MolecularWeight: 465.36232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](NC=C1C(=O)NCC2=CC3=C(C=C2)C(=C(C=C3)O)Br)C4=CC=CC=C4

Isomeric SMILES

CCCC1=[N+](NC=C1C(=O)NCC2=CC3=C(C=C2)C(=C(C=C3)O)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H22BrN3O2/c1-2-6-21-20(15-27-28(21)18-7-4-3-5-8-18)24(30)26-14-16-9-11-19-17(13-16)10-12-22(29)23(19)25/h3-5,7-13,15H,2,6,14H2,1H3,(H2,26,29,30)/p+1