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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C24H31N3O4/c1-2-30-24(29)26-14-11-21(12-15-26)27-13-3-5-19(17-27)23(28)25-20-9-7-18(8-10-20)22-6-4-16-31-22/h4,6-10,16,19,21H,2-3,5,11-15,17H2,1H3,(H,25,28)/p+1/t19-/m0/s1