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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2-bromophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2-bromophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-bromophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-bromophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-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=C3Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3Br)Br

InChI

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