dimethyl-[(1S)-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(2-oxochromene-3-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(2-oxochromene-3-carbonyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[(2-ketochromene-3-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C18H19N2O3S+ MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=CC=CC=C2OC1=O)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=CC=CC=C2OC1=O)C3=CSC=C3

InChI

InChI=1S/C18H18N2O3S/c1-20(2)15(13-7-8-24-11-13)10-19-17(21)14-9-12-5-3-4-6-16(12)23-18(14)22/h3-9,11,15H,10H2,1-2H3,(H,19,21)/p+1/t15-/m1/s1