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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(4-ethoxybenzyl)piperazine-1,4-diium Formula: C21H29BrN2O2+2 MolecularWeight: 421.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O2/c1-3-26-20-7-4-17(5-8-20)15-23-10-12-24(13-11-23)16-18-14-19(22)6-9-21(18)25-2/h4-9,14H,3,10-13,15-16H2,1-2H3/p+2