(2-bromanyl-2-methyl-propanoyl)-(2-butylphenyl)-methoxy-(phenylmethyl)azanium

Systemtic Name: (2-bromanyl-2-methyl-propanoyl)-(2-butylphenyl)-methoxy-(phenylmethyl)azanium Openeye Name: benzyl-(2-bromo-2-methyl-propanoyl)-(2-butylphenyl)-methoxy-ammonium CAS Name: (2-bromo-2-methyl-1-oxopropyl)-(2-butylphenyl)-methoxy-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-bromo-2-methylpropanoyl)-(2-butylphenyl)-methoxyazanium Traditional Name: benzyl-(2-bromo-2-methyl-propanoyl)-(2-butylphenyl)-methoxy-ammonium Formula: C22H29BrNO2+ MolecularWeight: 419.37516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1[N+](CC2=CC=CC=C2)(C(=O)C(C)(C)Br)OC

Isomeric SMILES

CCCCC1=CC=CC=C1[N+](CC2=CC=CC=C2)(C(=O)C(C)(C)Br)OC

InChI

InChI=1S/C22H29BrNO2/c1-5-6-14-19-15-10-11-16-20(19)24(26-4,21(25)22(2,3)23)17-18-12-8-7-9-13-18/h7-13,15-16H,5-6,14,17H2,1-4H3/q+1