4,5-dimethyl-2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 4,5-dimethyl-2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4,5-dimethyl-2-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 4,5-dimethyl-2-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 4,5-dimethyl-2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4,5-dimethyl-2-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O

InChI

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