dimethyl-[(1S)-2-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[(3R)-1-oxoisochromane-3-carbonyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[(3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[[(3R)-1-ketoisochroman-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CC2=CC=CC=C2C(=O)O1)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)[C@H]1CC2=CC=CC=C2C(=O)O1)C3=CSC=C3

InChI

InChI=1S/C18H20N2O3S/c1-20(2)15(13-7-8-24-11-13)10-19-17(21)16-9-12-5-3-4-6-14(12)18(22)23-16/h3-8,11,15-16H,9-10H2,1-2H3,(H,19,21)/p+1/t15-,16-/m1/s1