cyclopentyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: cyclopentyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: cyclopentyl-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: cyclopentyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: cyclopentyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-dimethylazanium Traditional Name: cyclopentyl-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-dimethyl-ammonium Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[N+](C)(C)C2CCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[N+](C)(C)C2CCCC2

InChI

InChI=1S/C17H25N3O4/c1-12(20(2,3)14-7-5-6-8-14)17(21)18-15-11-13(19(22)23)9-10-16(15)24-4/h9-12,14H,5-8H2,1-4H3/p+1/t12-/m1/s1