1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(4-ethylbenzyl)piperazine-1,4-diium Formula: C21H29BrN2O+2 MolecularWeight: 405.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H27BrN2O/c1-3-17-4-6-18(7-5-17)15-23-10-12-24(13-11-23)16-19-8-9-21(25-2)20(22)14-19/h4-9,14H,3,10-13,15-16H2,1-2H3/p+2