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

Systemtic Name: tert-butyl 4-methyl-1-[phenyl-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]amino]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-methyl-1-(N-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]anilino)piperidin-1-ium-1-carboxylate CAS Name: 4-methyl-1-(N-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]anilino)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-1-(N-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]anilino)piperidin-1-ium-1-carboxylate Traditional Name: 4-methyl-1-(N-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]anilino)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C31H40N3O5+ MolecularWeight: 534.6664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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