[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[3-(methylcarbamoylamino)-3-oxidanylidene-propyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[3-(methylcarbamoylamino)-3-oxidanylidene-propyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[3-(methylcarbamoylamino)-3-oxo-propyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[3-(methylcarbamoylamino)-3-oxopropyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[3-(methylcarbamoylamino)-3-oxopropyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[3-keto-3-(methylcarbamoylamino)propyl]ammonium Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(=O)NC(=O)NC)CC1COC2=CC=CC=C2O1

Isomeric SMILES

CC[NH+](CCC(=O)NC(=O)NC)C[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C16H23N3O4/c1-3-19(9-8-15(20)18-16(21)17-2)10-12-11-22-13-6-4-5-7-14(13)23-12/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,20,21)/p+1/t12-/m0/s1