1-[(4-ethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-ethoxybenzyl)-4-(3-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(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

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