2-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: 2-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: 2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]acetamide IUPAC Name: 2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: 2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]acetamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NCC(=O)N)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NCC(=O)N)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H23N3O4/c18-16(21)10-19-17(22)11-20-6-1-3-13(20)12-4-5-14-15(9-12)24-8-2-7-23-14/h4-5,9,13H,1-3,6-8,10-11H2,(H2,18,21)(H,19,22)/p+1/t13-/m0/s1