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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,4-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=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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