1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(3-bromophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(3-bromophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(3-bromophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(3-bromophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(3-bromophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromobenzyl)-4-(3-bromo-4-methoxy-benzyl)piperazin-1-ium Formula: C19H23Br2N2O+ MolecularWeight: 455.20672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Br)Br

InChI

InChI=1S/C19H22Br2N2O/c1-24-19-6-5-16(12-18(19)21)14-23-9-7-22(8-10-23)13-15-3-2-4-17(20)11-15/h2-6,11-12H,7-10,13-14H2,1H3/p+1