3-(3,4-dimethoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O3/c1-18-6-4-5-7-20(18)17-24-12-14-25(15-13-24)23(26)11-9-19-8-10-21(27-2)22(16-19)28-3/h4-8,10,16H,9,11-15,17H2,1-3H3/p+1