(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (6-bromo-2-hydroxy-1-naphthyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (6-bromo-2-hydroxy-1-naphthalenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (6-bromo-2-hydroxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (6-bromo-2-hydroxy-1-naphthyl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C21H22BrN2O2+ MolecularWeight: 414.31558

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=C(C=CC3=C2C=CC(=C3)Br)O

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=C(C=CC3=C2C=CC(=C3)Br)O

InChI

InChI=1S/C21H21BrN2O2/c1-23-21(26)15-5-3-14(4-6-15)12-24(2)13-19-18-9-8-17(22)11-16(18)7-10-20(19)25/h3-11,25H,12-13H2,1-2H3,(H,23,26)/p+1