4-bromanyl-2-methoxy-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-methoxy-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 4-bromo-2-methoxy-6-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-methoxy-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Formula: C21H26BrN2O2+ MolecularWeight: 418.34734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)CN2CC[NH+](CC2)CC=CC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)CN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C21H25BrN2O2/c1-26-20-15-19(22)14-18(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+1/b8-5+