N-[(7-bromanyl-6-oxidanyl-naphthalen-2-yl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide bromide

Systemtic Name: N-[(7-bromanyl-6-oxidanyl-naphthalen-2-yl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide bromide Openeye Name: N-[(7-bromo-6-hydroxy-2-naphthyl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide bromide CAS Name: N-[(7-bromo-6-hydroxy-2-naphthalenyl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide bromide IUPAC Name: N-[(7-bromo-6-hydroxynaphthalen-2-yl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide bromide Traditional Name: N-[(7-bromo-6-hydroxy-2-naphthyl)methyl]-2-phenyl-3-propyl-1H-pyrazol-2-ium-4-carboxamide bromide Formula: C24H23Br2N3O2 MolecularWeight: 545.26632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](NC=C1C(=O)NCC2=CC3=CC(=C(C=C3C=C2)O)Br)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCC1=[N+](NC=C1C(=O)NCC2=CC3=CC(=C(C=C3C=C2)O)Br)C4=CC=CC=C4.[Br-]

InChI

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