[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH+](C)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH+](C)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N2O3S/c1-11(15-4-3-7-22-15)18(2)9-16(19)17-12-5-6-13-14(8-12)21-10-20-13/h3-8,11H,9-10H2,1-2H3,(H,17,19)/p+1/t11-/m0/s1