1-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-keto-2-(4-veratrylpiperazin-4-ium-1-yl)ethyl]cinnolin-4-one Formula: C23H27N4O4+ MolecularWeight: 423.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C=N3)OC

InChI

InChI=1S/C23H26N4O4/c1-30-21-8-7-17(13-22(21)31-2)15-25-9-11-26(12-10-25)23(29)16-27-19-6-4-3-5-18(19)20(28)14-24-27/h3-8,13-14H,9-12,15-16H2,1-2H3/p+1