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

Systemtic Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbamoylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-ammonium Formula: C18H27N4O4+ MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4/c1-21(2)7-3-6-19-18(24)20-13-10-17(23)22(12-13)14-4-5-15-16(11-14)26-9-8-25-15/h4-5,11,13H,3,6-10,12H2,1-2H3,(H2,19,20,24)/p+1/t13-/m0/s1