[3-(2-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-propyl]-dimethyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: [3-(2-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-propyl]-dimethyl-[(2-methylphenyl)methyl]azanium Openeye Name: [3-(2-bromo-4,5-dimethoxy-phenyl)-3-oxo-propyl]-dimethyl-(o-tolylmethyl)ammonium CAS Name: [3-(2-bromo-4,5-dimethoxyphenyl)-3-oxopropyl]-dimethyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [3-(2-bromo-4,5-dimethoxyphenyl)-3-oxopropyl]-dimethyl-[(2-methylphenyl)methyl]azanium Traditional Name: [3-(2-bromo-4,5-dimethoxy-phenyl)-3-keto-propyl]-dimethyl-(2-methylbenzyl)ammonium Formula: C21H27BrNO3+ MolecularWeight: 421.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[N+](C)(C)CCC(=O)C2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C[N+](C)(C)CCC(=O)C2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C21H27BrNO3/c1-15-8-6-7-9-16(15)14-23(2,3)11-10-19(24)17-12-20(25-4)21(26-5)13-18(17)22/h6-9,12-13H,10-11,14H2,1-5H3/q+1