ethyl (3S)-1-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26N3O5+ MolecularWeight: 364.41614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-4-26-18(23)14-6-5-7-20(10-14)11-17(22)19-15-8-12(2)13(3)9-16(15)21(24)25/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,22)/p+1/t14-/m0/s1