2-bromanyl-6-methoxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2-bromo-4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-bromo-6-methoxy-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 2-bromo-4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-6-methoxy-phenol Formula: C21H27BrN2O2+2 MolecularWeight: 419.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)Br)O

InChI

InChI=1S/C21H25BrN2O2/c1-26-20-15-18(14-19(22)21(20)25)16-24-12-10-23(11-13-24)9-5-8-17-6-3-2-4-7-17/h2-8,14-15,25H,9-13,16H2,1H3/p+2/b8-5+