4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H25N3O4/c1-24-13-5-6-16(25-2)14(10-13)15-4-3-8-21(15)18(23)12-20-9-7-19-17(22)11-20/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H,19,22)/p+1/t15-/m1/s1