N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3-hydroxy-3-methyl-but-1-ynyl)benzamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3-hydroxy-3-methyl-but-1-ynyl)benzamide Formula: C24H35N2O2+ MolecularWeight: 383.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)NC2CCC[NH+](C2)CC3CCCCC3)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3)O

InChI

InChI=1S/C24H34N2O2/c1-24(2,28)14-13-19-10-6-11-21(16-19)23(27)25-22-12-7-15-26(18-22)17-20-8-4-3-5-9-20/h6,10-11,16,20,22,28H,3-5,7-9,12,15,17-18H2,1-2H3,(H,25,27)/p+1/t22-/m0/s1