1-[4-[4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-methoxy-2,5-dimethyl-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C)OC

InChI

InChI=1S/C22H28N2O2/c1-16-14-22(26-4)17(2)13-20(16)15-23-9-11-24(12-10-23)21-7-5-19(6-8-21)18(3)25/h5-8,13-14H,9-12,15H2,1-4H3/p+1