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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-chlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-chlorobenzyl)-4-(3-methylbenzyl)piperazine-1,4-diium Formula: C19H25ClN2+2 MolecularWeight: 316.8682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H23ClN2/c1-16-4-2-5-17(12-16)14-21-8-10-22(11-9-21)15-18-6-3-7-19(20)13-18/h2-7,12-13H,8-11,14-15H2,1H3/p+2