2-methyl-6-[[4-[(3-methyl-2-oxidanyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 2-methyl-6-[[4-[(3-methyl-2-oxidanyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2-[[4-[(2-hydroxy-3-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methyl-phenol CAS Name: 2-[[4-[(2-hydroxy-3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-6-methylphenol IUPAC Name: 2-[[4-[(2-hydroxy-3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methylphenol Traditional Name: 2-[[4-(2-hydroxy-3-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]-6-methyl-phenol Formula: C20H28N2O2+2 MolecularWeight: 328.44852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3O)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3O)C)O

InChI

InChI=1S/C20H26N2O2/c1-15-5-3-7-17(19(15)23)13-21-9-11-22(12-10-21)14-18-8-4-6-16(2)20(18)24/h3-8,23-24H,9-14H2,1-2H3/p+2