1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(3-chlorophenyl)piperazin-1-ium Formula: C18H21BrClN2O+ MolecularWeight: 396.72914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20BrClN2O/c1-23-18-6-5-15(19)11-14(18)13-21-7-9-22(10-8-21)17-4-2-3-16(20)12-17/h2-6,11-12H,7-10,13H2,1H3/p+1