dimethyl-[(1R)-2-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: [(1R)-2-(4-benzoyl-2-nitro-anilino)-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-(4-benzoyl-2-nitroanilino)-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-(4-benzoyl-2-nitroanilino)-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-(4-benzoyl-2-nitro-anilino)-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C21H21N3O3S/c1-23(2)19(20-9-6-12-28-20)14-22-17-11-10-16(13-18(17)24(26)27)21(25)15-7-4-3-5-8-15/h3-13,19,22H,14H2,1-2H3/p+1/t19-/m1/s1