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

Systemtic Name: tert-butyl 1-[(4-butoxyphenyl)-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]amino]-4-methyl-piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-butoxy-N-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]anilino)-4-methyl-piperidin-1-ium-1-carboxylate CAS Name: 1-(4-butoxy-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-butoxy-N-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]anilino)-4-methylpiperidin-1-ium-1-carboxylate Traditional Name: 1-(4-butoxy-N-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]anilino)-4-methyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C35H48N3O6+ MolecularWeight: 606.77212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(C2=CC(=NC=C2)C3=CC(=C(C(=C3)OC)OC)OC)[N+]4(CCC(CC4)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(C2=CC(=NC=C2)C3=CC(=C(C(=C3)OC)OC)OC)[N+]4(CCC(CC4)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H48N3O6/c1-9-10-21-43-29-13-11-27(12-14-29)37(38(19-16-25(2)17-20-38)34(39)44-35(3,4)5)28-15-18-36-30(24-28)26-22-31(40-6)33(42-8)32(23-26)41-7/h11-15,18,22-25H,9-10,16-17,19-21H2,1-8H3/q+1