1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(o-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(2-methylbenzyl)piperazine-1,4-diium Formula: C20H27BrN2O+2 MolecularWeight: 391.34518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H25BrN2O/c1-16-5-3-4-6-17(16)14-22-9-11-23(12-10-22)15-18-13-19(21)7-8-20(18)24-2/h3-8,13H,9-12,14-15H2,1-2H3/p+2