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

Systemtic Name: tert-butyl 4-methyl-1-[phenyl-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]amino]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-methyl-1-(N-[5-(3,4,5-trimethoxyphenyl)-3-pyridyl]anilino)piperidin-1-ium-1-carboxylate CAS Name: 4-methyl-1-(N-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]anilino)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-1-(N-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]anilino)piperidin-1-ium-1-carboxylate Traditional Name: 4-methyl-1-(N-[5-(3,4,5-trimethoxyphenyl)-3-pyridyl]anilino)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C31H40N3O5+ MolecularWeight: 534.6664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N3O5/c1-22-13-15-34(16-14-22,30(35)39-31(2,3)4)33(25-11-9-8-10-12-25)26-17-24(20-32-21-26)23-18-27(36-5)29(38-7)28(19-23)37-6/h8-12,17-22H,13-16H2,1-7H3/q+1