[3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-diethylaminoethyl)azanium

Systemtic Name: [3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-diethylaminoethyl)azanium Openeye Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-diethylaminoethyl)ammonium CAS Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-(2-diethylaminoethyl)ammonium IUPAC Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-(2-diethylaminoethyl)azanium Traditional Name: [3-bromo-4-(3,4-dichlorobenzyl)oxy-5-methoxy-benzyl]-(2-diethylaminoethyl)ammonium Formula: C21H28BrCl2N2O2+ MolecularWeight: 491.26922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC(=C(C=C2)Cl)Cl)OC

Isomeric SMILES

CCN(CC)CC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC(=C(C=C2)Cl)Cl)OC

InChI

InChI=1S/C21H27BrCl2N2O2/c1-4-26(5-2)9-8-25-13-16-10-17(22)21(20(12-16)27-3)28-14-15-6-7-18(23)19(24)11-15/h6-7,10-12,25H,4-5,8-9,13-14H2,1-3H3/p+1