4,5-dimethyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 4,5-dimethyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4,5-dimethyl-2-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 4,5-dimethyl-2-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 4,5-dimethyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4,5-dimethyl-2-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C21H30N2O+2 MolecularWeight: 326.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O

InChI

InChI=1S/C21H28N2O/c1-16-6-4-5-7-19(16)14-22-8-10-23(11-9-22)15-20-12-17(2)18(3)13-21(20)24/h4-7,12-13,24H,8-11,14-15H2,1-3H3/p+2