[(1R)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-1-(4-ethylphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium Formula: C19H24ClN4O2S+ MolecularWeight: 407.93746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[NH+](C)C

InChI

InChI=1S/C19H23ClN4O2S/c1-4-13-5-7-14(8-6-13)18(23(2)3)12-21-19(27)22-17-11-15(24(25)26)9-10-16(17)20/h5-11,18H,4,12H2,1-3H3,(H2,21,22,27)/p+1/t18-/m0/s1