1-[(4-ethylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-ethylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-ethylbenzyl)-4-(3-phenoxybenzyl)piperazine-1,4-diium Formula: C26H32N2O+2 MolecularWeight: 388.54508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O/c1-2-22-11-13-23(14-12-22)20-27-15-17-28(18-16-27)21-24-7-6-10-26(19-24)29-25-8-4-3-5-9-25/h3-14,19H,2,15-18,20-21H2,1H3/p+2