1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)-4-o-phenetyl-piperazin-1-ium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)Br

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)Br

InChI

InChI=1S/C21H27BrN2O3/c1-4-27-19-8-6-5-7-18(19)24-11-9-23(10-12-24)15-16-13-17(22)21(26-3)14-20(16)25-2/h5-8,13-14H,4,9-12,15H2,1-3H3/p+1