2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-diethyl-azanium Openeye Name: 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]ethyl-diethyl-ammonium CAS Name: 2-[[[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl-diethylazanium Traditional Name: 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]carbamoylamino]ethyl-diethyl-ammonium Formula: C19H29N4O4+ MolecularWeight: 377.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)NC1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)N[C@H]1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H28N4O4/c1-3-22(4-2)8-7-20-19(25)21-14-11-18(24)23(13-14)15-5-6-16-17(12-15)27-10-9-26-16/h5-6,12,14H,3-4,7-11,13H2,1-2H3,(H2,20,21,25)/p+1/t14-/m0/s1