[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(3-butoxypropyl)azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: 3-butoxypropyl-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 3-butoxypropyl-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-(3-butoxypropyl)ammonium Formula: C21H28Br2NO2+ MolecularWeight: 486.26052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C21H27Br2NO2/c1-2-3-11-25-12-7-10-24-15-18-13-19(22)21(20(23)14-18)26-16-17-8-5-4-6-9-17/h4-6,8-9,13-14,24H,2-3,7,10-12,15-16H2,1H3/p+1