4-(2-phenylethynyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-(2-phenylethynyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-(2-phenylethynyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-(2-phenylethynyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-(2-phenylethynyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-(2-phenylethynyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C24H29N2O+ MolecularWeight: 361.49986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)C

InChI

InChI=1S/C24H28N2O/c1-23(2)16-21(17-24(3,4)26-23)25-22(27)20-14-12-19(13-15-20)11-10-18-8-6-5-7-9-18/h5-9,12-15,21,26H,16-17H2,1-4H3,(H,25,27)/p+1