[(2S,3S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-butyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C13H18N2O3/c1-3-8(2)12(14)13(16)15-9-4-5-10-11(6-9)18-7-17-10/h4-6,8,12H,3,7,14H2,1-2H3,(H,15,16)/p+1/t8-,12-/m0/s1