4-[[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]methyl]benzene-1,3-diol

Systemtic Name: 4-[[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]methyl]benzene-1,3-diol Openeye Name: 4-[[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]methyl]benzene-1,3-diol CAS Name: 4-[[[2-methyl-2-(4-methyl-1-piperazin-1-iumyl)propyl]amino]methyl]benzene-1,3-diol IUPAC Name: 4-[[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]methyl]benzene-1,3-diol Traditional Name: 4-[[[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amino]methyl]resorcinol Formula: C16H28N3O2+ MolecularWeight: 294.41242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCC1=C(C=C(C=C1)O)O)[NH+]2CCN(CC2)C

Isomeric SMILES

CC(C)(CNCC1=C(C=C(C=C1)O)O)[NH+]2CCN(CC2)C

InChI

InChI=1S/C16H27N3O2/c1-16(2,19-8-6-18(3)7-9-19)12-17-11-13-4-5-14(20)10-15(13)21/h4-5,10,17,20-21H,6-9,11-12H2,1-3H3/p+1