1-[4-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-16-4-5-20(17(2)14-16)15-22-10-12-23(13-11-22)21-8-6-19(7-9-21)18(3)24/h4-9,14H,10-13,15H2,1-3H3/p+1