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

Systemtic Name: ethyl 4-[(3S)-1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[[3-(2-furyl)phenyl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[[3-(2-furanyl)phenyl]methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[3-(2-furyl)benzyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CC=CC(=C3)C4=CC=CO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CC=CC(=C3)C4=CC=CO4

InChI

InChI=1S/C23H31N3O3/c1-2-28-23(27)26-13-11-25(12-14-26)21-8-4-10-24(18-21)17-19-6-3-7-20(16-19)22-9-5-15-29-22/h3,5-7,9,15-16,21H,2,4,8,10-14,17-18H2,1H3/p+1/t21-/m0/s1