[(1R)-2-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(3-chloro-5-ethoxy-4-propoxy-benzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(3-chloro-5-ethoxy-4-propoxyphenyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(3-chloro-5-ethoxy-4-propoxy-benzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C20H28ClN2O3S+ MolecularWeight: 411.96592

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)NCC(C2=CSC=C2)[NH+](C)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)NC[C@@H](C2=CSC=C2)[NH+](C)C)OCC

InChI

InChI=1S/C20H27ClN2O3S/c1-5-8-26-19-16(21)10-15(11-18(19)25-6-2)20(24)22-12-17(23(3)4)14-7-9-27-13-14/h7,9-11,13,17H,5-6,8,12H2,1-4H3,(H,22,24)/p+1/t17-/m0/s1