ethyl 4-[4-[[3-(furan-2-yl)phenyl]carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[3-(furan-2-yl)phenyl]carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-(2-furyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[3-(2-furanyl)anilino]-oxomethyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-(furan-2-yl)phenyl]carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[3-(2-furyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=CO4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=CO4

InChI

InChI=1S/C24H31N3O4/c1-2-30-24(29)27-14-10-21(11-15-27)26-12-8-18(9-13-26)23(28)25-20-6-3-5-19(17-20)22-7-4-16-31-22/h3-7,16-18,21H,2,8-15H2,1H3,(H,25,28)/p+1