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

Systemtic Name: [(2S,3S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-(piperonylcarbamoyl)butyl]ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C14H20N2O3/c1-3-9(2)13(15)14(17)16-7-10-4-5-11-12(6-10)19-8-18-11/h4-6,9,13H,3,7-8,15H2,1-2H3,(H,16,17)/p+1/t9-,13-/m0/s1