1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(3-methylbenzyl)piperazine-1,4-diium Formula: C22H32N2O2+2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2/c1-4-26-22-15-20(8-9-21(22)25-3)17-24-12-10-23(11-13-24)16-19-7-5-6-18(2)14-19/h5-9,14-15H,4,10-13,16-17H2,1-3H3/p+2