1-[(4-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4-bromobenzyl)-4-(3-ethoxy-4-methoxy-benzyl)piperazin-1-ium Formula: C21H28BrN2O2+ MolecularWeight: 420.36322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)Br)OC

InChI

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