ethyl 1-[1-[(3,6,7-trimethyl-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[1-[(3,6,7-trimethyl-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[1-(3,6,7-trimethylbenzofuran-2-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-[oxo-(3,6,7-trimethyl-2-benzofuranyl)methyl]-4-piperidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3,6,7-trimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[1-(3,6,7-trimethylbenzofuran-2-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-5-30-25(29)19-8-12-26(13-9-19)20-10-14-27(15-11-20)24(28)23-18(4)21-7-6-16(2)17(3)22(21)31-23/h6-7,19-20H,5,8-15H2,1-4H3/p+1