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

Systemtic Name: [3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-diethylaminoethyl)azanium Openeye Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-diethylaminoethyl)ammonium CAS Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-(2-diethylaminoethyl)ammonium IUPAC Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-(2-diethylaminoethyl)azanium Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]-(2-diethylaminoethyl)ammonium Formula: C21H29BrClN2O2+ MolecularWeight: 456.82416

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrClN2O2/c1-4-25(5-2)11-10-24-14-17-12-19(22)21(20(13-17)26-3)27-15-16-6-8-18(23)9-7-16/h6-9,12-13,24H,4-5,10-11,14-15H2,1-3H3/p+1