1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

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