1-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C13H20N2O/c1-11-3-4-13(16-2)12(9-11)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3/p+2