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

Systemtic Name: tert-butyl 1-[(4-chlorophenyl)-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]amino]-4-methyl-piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-chloro-N-[5-(3,4,5-trimethoxyphenyl)-3-pyridyl]anilino)-4-methyl-piperidin-1-ium-1-carboxylate CAS Name: 1-(4-chloro-N-[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]anilino)-4-methyl-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-chloro-N-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]anilino)-4-methylpiperidin-1-ium-1-carboxylate Traditional Name: 1-(4-chloro-N-[5-(3,4,5-trimethoxyphenyl)-3-pyridyl]anilino)-4-methyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C31H39ClN3O5+ MolecularWeight: 569.11146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H39ClN3O5/c1-21-12-14-35(15-13-21,30(36)40-31(2,3)4)34(25-10-8-24(32)9-11-25)26-16-23(19-33-20-26)22-17-27(37-5)29(39-7)28(18-22)38-6/h8-11,16-21H,12-15H2,1-7H3/q+1