ethyl 1-[3-[(3-chloranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[(3-chloranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(3-chloro-2-methyl-anilino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(3-chloro-2-methyl-anilino)-3-keto-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26ClN2O3+ MolecularWeight: 353.86364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O3/c1-3-24-18(23)14-7-10-21(11-8-14)12-9-17(22)20-16-6-4-5-15(19)13(16)2/h4-6,14H,3,7-12H2,1-2H3,(H,20,22)/p+1