[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl]-(2-thenyl)ammonium Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH2+]CC3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH2+]CC3=CC=CS3

InChI

InChI=1S/C16H18N2O3S/c1-11(17-9-13-3-2-6-22-13)16(19)18-8-12-4-5-14-15(7-12)21-10-20-14/h2-7,11,17H,8-10H2,1H3,(H,18,19)/p+1/t11-/m0/s1