4-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C[NH+]2CCNC(=O)C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[NH+]2CCNC(=O)C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H23N3O4/c22-17-11-20(7-5-19-17)12-18(23)21-6-1-2-14(21)13-3-4-15-16(10-13)25-9-8-24-15/h3-4,10,14H,1-2,5-9,11-12H2,(H,19,22)/p+1/t14-/m0/s1