N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-4-(2-hydroxyethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide Formula: C19H27N4O5+ MolecularWeight: 391.44148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)N[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H26N4O5/c24-8-7-21-3-5-22(6-4-21)19(26)20-14-11-18(25)23(13-14)15-1-2-16-17(12-15)28-10-9-27-16/h1-2,12,14,24H,3-11,13H2,(H,20,26)/p+1/t14-/m0/s1