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

Systemtic Name: 1-[4-methoxy-3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]phenyl]ethanone Formula: C22H30N2O2+2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-17-5-4-6-19(13-17)15-23-9-11-24(12-10-23)16-21-14-20(18(2)25)7-8-22(21)26-3/h4-8,13-14H,9-12,15-16H2,1-3H3/p+2