N-(2-hydroxyphenyl)-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(benzylamino)-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(benzylamino)-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c25-19-9-5-4-8-18(19)23-21(27)17-10-12-24(13-11-17)15-20(26)22-14-16-6-2-1-3-7-16/h1-9,17,25H,10-15H2,(H,22,26)(H,23,27)/p+1