ethyl 4-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxo-propyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3R)-3-[3-keto-3-(m-anisylamino)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)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)CCC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H37N3O4/c1-3-31-24(29)26-14-11-21(12-15-26)27-13-5-7-19(18-27)9-10-23(28)25-17-20-6-4-8-22(16-20)30-2/h4,6,8,16,19,21H,3,5,7,9-15,17-18H2,1-2H3,(H,25,28)/p+1/t19-/m1/s1