ethyl 1-[3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(2,5-dimethylanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(2,5-dimethylanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(2,5-dimethylanilino)-3-keto-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C19H28N2O3/c1-4-24-19(23)16-7-10-21(11-8-16)12-9-18(22)20-17-13-14(2)5-6-15(17)3/h5-6,13,16H,4,7-12H2,1-3H3,(H,20,22)/p+1