ethyl 1-[1-[(7-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[1-[(7-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[1-(7-fluoro-3-methyl-benzofuran-2-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-[(7-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]-4-piperidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[1-(7-fluoro-3-methyl-benzofuran-2-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H30FN2O4+ MolecularWeight: 417.493703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C(C4=C(O3)C(=CC=C4)F)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C(C4=C(O3)C(=CC=C4)F)C

InChI

InChI=1S/C23H29FN2O4/c1-3-29-23(28)16-7-11-25(12-8-16)17-9-13-26(14-10-17)22(27)20-15(2)18-5-4-6-19(24)21(18)30-20/h4-6,16-17H,3,7-14H2,1-2H3/p+1