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

Systemtic Name: 3-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)O

InChI

InChI=1S/C26H32N2O2/c1-26(2,30)16-15-22-11-6-13-23(19-22)25(29)27-24-14-8-18-28(20-24)17-7-12-21-9-4-3-5-10-21/h3-6,9-11,13,19,24,30H,7-8,12,14,17-18,20H2,1-2H3,(H,27,29)/p+1/t24-/m0/s1