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

Systemtic Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propyl-diethyl-azanium Openeye Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]propyl-diethyl-ammonium CAS Name: 3-[[[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbamoylamino]propyl-diethylazanium Traditional Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]carbamoylamino]propyl-diethyl-ammonium Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4/c1-3-23(4-2)9-5-8-21-20(26)22-15-12-19(25)24(14-15)16-6-7-17-18(13-16)28-11-10-27-17/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H2,21,22,26)/p+1/t15-/m0/s1