dimethyl-[(1S)-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C3=CSC=C3

InChI

InChI=1S/C19H25N3O3S2/c1-21(2)18(16-8-10-26-13-16)12-20-19(23)15-6-7-17-14(11-15)5-4-9-22(17)27(3,24)25/h6-8,10-11,13,18H,4-5,9,12H2,1-3H3,(H,20,23)/p+1/t18-/m1/s1