2,6-dimethoxy-4-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C21H30N2O3+2 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-16-6-4-5-7-18(16)15-23-10-8-22(9-11-23)14-17-12-19(25-2)21(24)20(13-17)26-3/h4-7,12-13,24H,8-11,14-15H2,1-3H3/p+2