N-(2-hydroxyphenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[2-keto-2-(p-anisylamino)ethyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C22H27N3O4/c1-29-18-8-6-16(7-9-18)14-23-21(27)15-25-12-10-17(11-13-25)22(28)24-19-4-2-3-5-20(19)26/h2-9,17,26H,10-15H2,1H3,(H,23,27)(H,24,28)/p+1