(2-azanyl-2-oxidanylidene-ethyl)-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]ammonium IUPAC Name: (2-amino-2-oxoethyl)-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]azanium Traditional Name: (2-amino-2-keto-ethyl)-[(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)[NH2+]CC(=O)N

Isomeric SMILES

C[C@H](CCC1=CC2=C(C=C1)OCO2)[NH2+]CC(=O)N

InChI

InChI=1S/C13H18N2O3/c1-9(15-7-13(14)16)2-3-10-4-5-11-12(6-10)18-8-17-11/h4-6,9,15H,2-3,7-8H2,1H3,(H2,14,16)/p+1/t9-/m1/s1