1-[(3-bromophenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-(4-ethoxybenzyl)piperazine-1,4-diium Formula: C20H27BrN2O+2 MolecularWeight: 391.34518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

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