3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionamide Formula: C30H44N3O3+ MolecularWeight: 494.68866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C30H43N3O3/c1-29(2,3)24-18-21(19-25(28(24)36)30(4,5)6)12-13-26(34)31-23-14-16-33(17-15-23)20-27(35)32-22-10-8-7-9-11-22/h7-11,18-19,23,36H,12-17,20H2,1-6H3,(H,31,34)(H,32,35)/p+1