ethyl 2-[(3R)-3-[3-[(5-methylfuran-2-yl)methylamino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-[(3R)-3-[3-[(5-methylfuran-2-yl)methylamino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-[(3R)-3-[3-[(5-methyl-2-furyl)methylamino]-3-oxo-propyl]-1-piperidyl]pyridin-1-ium-3-carboxylate CAS Name: 2-[(3R)-3-[3-[(5-methyl-2-furanyl)methylamino]-3-oxopropyl]-1-piperidinyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3R)-3-[3-[(5-methylfuran-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]pyridin-1-ium-3-carboxylate Traditional Name: 2-[(3R)-3-[3-keto-3-[(5-methyl-2-furyl)methylamino]propyl]piperidino]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=CC=C1)N2CCCC(C2)CCC(=O)NCC3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)C1=C([NH+]=CC=C1)N2CCC[C@@H](C2)CCC(=O)NCC3=CC=C(O3)C

InChI

InChI=1S/C22H29N3O4/c1-3-28-22(27)19-7-4-12-23-21(19)25-13-5-6-17(15-25)9-11-20(26)24-14-18-10-8-16(2)29-18/h4,7-8,10,12,17H,3,5-6,9,11,13-15H2,1-2H3,(H,24,26)/p+1/t17-/m1/s1