[(1S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)OCCCO2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C=C1)OCCCO2)C3=CSC=C3

InChI

InChI=1S/C18H22N2O3S/c1-20(2)15(14-6-9-24-12-14)11-19-18(21)13-4-5-16-17(10-13)23-8-3-7-22-16/h4-6,9-10,12,15H,3,7-8,11H2,1-2H3,(H,19,21)/p+1/t15-/m1/s1