[(1S)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(7-chloropiperonyloyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C16H18ClN2O3S+ MolecularWeight: 353.84372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C(=C1)Cl)OCO2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C(=C1)Cl)OCO2)C3=CSC=C3

InChI

InChI=1S/C16H17ClN2O3S/c1-19(2)13(10-3-4-23-8-10)7-18-16(20)11-5-12(17)15-14(6-11)21-9-22-15/h3-6,8,13H,7,9H2,1-2H3,(H,18,20)/p+1/t13-/m1/s1