1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-ethyl-piperazin-4-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-ethyl-piperazin-4-ium Formula: C14H22BrN2O+ MolecularWeight: 314.24128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C14H21BrN2O/c1-3-16-6-8-17(9-7-16)11-12-10-13(15)4-5-14(12)18-2/h4-5,10H,3,6-9,11H2,1-2H3/p+1