1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(4-ethylbenzyl)piperazin-1-ium Formula: C21H28BrN2O+ MolecularWeight: 404.36382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CC[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+1