2-[4-[[(2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[[(2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(2S)-5-chloro-2,3-dihydrobenzofuran-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[(2S)-5-chloro-2,3-dihydrobenzofuran-2-yl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(2S)-5-chlorocoumaran-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H25ClN3O3+ MolecularWeight: 378.8731

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)[C@@H]3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C19H24ClN3O3/c20-15-3-4-16-14(11-15)12-17(26-16)19(25)23-9-7-21(8-10-23)13-18(24)22-5-1-2-6-22/h3-4,11,17H,1-2,5-10,12-13H2/p+1/t17-/m0/s1