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

Systemtic Name: 2-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-isopropyl-acetamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C[NH+]1CCCC1C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C[NH+]1CCC[C@@H]1C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H29N3O4/c1-14(2)22-19(24)12-21-20(25)13-23-8-3-5-16(23)15-6-7-17-18(11-15)27-10-4-9-26-17/h6-7,11,14,16H,3-5,8-10,12-13H2,1-2H3,(H,21,25)(H,22,24)/p+1/t16-/m1/s1