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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-4-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]-4-ethyl-piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-4-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-ethylpiperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]-4-ethyl-piperazin-4-ium-1-carboxamide Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H26N4O4/c1-2-21-5-7-22(8-6-21)19(25)20-14-11-18(24)23(13-14)15-3-4-16-17(12-15)27-10-9-26-16/h3-4,12,14H,2,5-11,13H2,1H3,(H,20,25)/p+1/t14-/m0/s1