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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-o-phenetyl-piperazin-1-ium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H25BrN2O2/c1-3-25-20-7-5-4-6-18(20)23-12-10-22(11-13-23)15-16-14-17(21)8-9-19(16)24-2/h4-9,14H,3,10-13,15H2,1-2H3/p+1