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

Systemtic Name: 2-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]phenol Formula: C18H22BrN2O2+ MolecularWeight: 378.28348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C18H21BrN2O2/c1-23-18-7-6-15(19)12-14(18)13-20-8-10-21(11-9-20)16-4-2-3-5-17(16)22/h2-7,12,22H,8-11,13H2,1H3/p+1