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

Systemtic Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propyl-dipropyl-azanium Openeye Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]propyl-dipropyl-ammonium CAS Name: 3-[[[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbamoylamino]propyl-dipropylazanium Traditional Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]carbamoylamino]propyl-dipropyl-ammonium Formula: C22H35N4O4+ MolecularWeight: 419.5377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O4/c1-3-9-25(10-4-2)11-5-8-23-22(28)24-17-14-21(27)26(16-17)18-6-7-19-20(15-18)30-13-12-29-19/h6-7,15,17H,3-5,8-14,16H2,1-2H3,(H2,23,24,28)/p+1/t17-/m0/s1