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

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(2,3-dimethoxyphenyl)-1-(4-p-anisylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C23H30N2O4/c1-27-20-10-7-18(8-11-20)17-24-13-15-25(16-14-24)22(26)12-9-19-5-4-6-21(28-2)23(19)29-3/h4-8,10-11H,9,12-17H2,1-3H3/p+1