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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl]piperidin-1-ium-4-carboxamide Formula: C23H30N3O4+ MolecularWeight: 412.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C23H29N3O4/c1-16(22(28)24-15-17-7-9-19(30-2)10-8-17)26-13-11-18(12-14-26)23(29)25-20-5-3-4-6-21(20)27/h3-10,16,18,27H,11-15H2,1-2H3,(H,24,28)(H,25,29)/p+1/t16-/m0/s1