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

Systemtic Name: 1-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyrrolidin-2-one Openeye Name: 1-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]pyrrolidin-2-one CAS Name: 1-[2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]pyrrolidin-2-one Traditional Name: 1-[2-keto-2-(4-veratrylpiperazin-4-ium-1-yl)ethyl]-2-pyrrolidone Formula: C19H28N3O4+ MolecularWeight: 362.44332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3CCCC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3CCCC3=O)OC

InChI

InChI=1S/C19H27N3O4/c1-25-16-6-5-15(12-17(16)26-2)13-20-8-10-21(11-9-20)19(24)14-22-7-3-4-18(22)23/h5-6,12H,3-4,7-11,13-14H2,1-2H3/p+1