3-(3,5-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-(4-p-anisylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H31N2O4+ MolecularWeight: 399.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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