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

Systemtic Name: 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-25-19-7-3-17(4-8-19)21(24)11-12-22-13-15-23(16-14-22)18-5-9-20(26-2)10-6-18/h3-10H,11-16H2,1-2H3/p+1