ethyl 4-[(3R)-3-[3-[(4-methoxy-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3R)-3-[3-[(4-methoxy-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3R)-3-[3-(4-methoxy-2-methyl-anilino)-3-oxo-propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3R)-3-[3-keto-3-(4-methoxy-2-methyl-anilino)propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H38N3O4+ MolecularWeight: 432.57622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)CCC(=O)NC3=C(C=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)CCC(=O)NC3=C(C=C(C=C3)OC)C

InChI

InChI=1S/C24H37N3O4/c1-4-31-24(29)26-14-11-20(12-15-26)27-13-5-6-19(17-27)7-10-23(28)25-22-9-8-21(30-3)16-18(22)2/h8-9,16,19-20H,4-7,10-15,17H2,1-3H3,(H,25,28)/p+1/t19-/m1/s1