[(1R)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H22N4O3S/c1-21(2)16(17-4-3-9-26-17)11-19-18(23)12-5-8-14(20-13-6-7-13)15(10-12)22(24)25/h3-5,8-10,13,16,20H,6-7,11H2,1-2H3,(H,19,23)/p+1/t16-/m1/s1