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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-chlorobenzyl)-4-(4-ethylbenzyl)piperazine-1,4-diium Formula: C20H27ClN2+2 MolecularWeight: 330.89478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2/c1-2-17-6-8-18(9-7-17)15-22-10-12-23(13-11-22)16-19-4-3-5-20(21)14-19/h3-9,14H,2,10-13,15-16H2,1H3/p+2