tert-butyl 1-[(4-fluorophenyl)-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]amino]-4-methyl-piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(4-fluorophenyl)-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]amino]-4-methyl-piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-fluoro-N-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]anilino)-4-methyl-piperidin-1-ium-1-carboxylate CAS Name: 1-(4-fluoro-N-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]anilino)-4-methyl-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-fluoro-N-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]anilino)-4-methylpiperidin-1-ium-1-carboxylate Traditional Name: 1-(4-fluoro-N-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]anilino)-4-methyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C31H39FN3O5+ MolecularWeight: 552.656863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1)(C(=O)OC(C)(C)C)N(C2=CC=C(C=C2)F)C3=CC(=NC=C3)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1CC[N+](CC1)(C(=O)OC(C)(C)C)N(C2=CC=C(C=C2)F)C3=CC(=NC=C3)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C31H39FN3O5/c1-21-13-16-35(17-14-21,30(36)40-31(2,3)4)34(24-10-8-23(32)9-11-24)25-12-15-33-26(20-25)22-18-27(37-5)29(39-7)28(19-22)38-6/h8-12,15,18-21H,13-14,16-17H2,1-7H3/q+1