1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)O

InChI

InChI=1S/C23H31N3O3/c1-22(2,29)11-10-18-6-8-19(9-7-18)20(27)25-16-12-23(13-17-25,21(24)28)26-14-4-3-5-15-26/h6-9,29H,3-5,12-17H2,1-2H3,(H2,24,28)/p+1