[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-16-4-5-19(17(2)14-16)15-22-10-12-23(13-11-22)21(24)18-6-8-20(25-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3/p+1