1-[2-(2-bromanyl-4-methyl-phenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[2-(2-bromanyl-4-methyl-phenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[2-(2-bromo-4-methyl-phenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(2-bromo-4-methylphenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-(2-bromo-4-methylphenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[2-(2-bromo-4-methyl-phenoxy)ethyl]piperazine-1,4-diium Formula: C20H27BrN2O+2 MolecularWeight: 391.34518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H25BrN2O/c1-17-7-8-20(19(21)15-17)24-14-13-22-9-11-23(12-10-22)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3/p+2