4-bromanyl-2-methoxy-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-methoxy-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-bromo-6-methoxy-phenol CAS Name: 4-bromo-2-methoxy-6-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-bromo-6-methoxyphenol Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-bromo-6-methoxy-phenol Formula: C19H24BrN2O2+ MolecularWeight: 392.31006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O2/c1-24-18-12-17(20)11-16(19(18)23)14-22-9-7-21(8-10-22)13-15-5-3-2-4-6-15/h2-6,11-12,23H,7-10,13-14H2,1H3/p+1