ethyl 1-(methylamino)-4-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(methylamino)-4-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(methylamino)-4-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]piperidin-1-ium-1-carboxylate CAS Name: 1-(methylamino)-4-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]-1-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(methylamino)-4-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-1-ium-1-carboxylate Traditional Name: 1-(methylamino)-4-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]piperidin-1-ium-1-carboxylic acid ethyl ester Formula: C23H32N3O5+ MolecularWeight: 430.51728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(CC1)C2=CC(=NC=C2)C3=CC(=C(C(=C3)OC)OC)OC)NC

Isomeric SMILES

CCOC(=O)[N+]1(CCC(CC1)C2=CC(=NC=C2)C3=CC(=C(C(=C3)OC)OC)OC)NC

InChI

InChI=1S/C23H32N3O5/c1-6-31-23(27)26(24-2)11-8-16(9-12-26)17-7-10-25-19(13-17)18-14-20(28-3)22(30-5)21(15-18)29-4/h7,10,13-16,24H,6,8-9,11-12H2,1-5H3/q+1