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

Systemtic Name: N-methyl-3-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-N-methyl-N-[(3S)-1-phenethylpiperidin-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)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)O

InChI

InChI=1S/C26H32N2O2/c1-26(2,30)16-14-22-11-7-12-23(19-22)25(29)27(3)24-13-8-17-28(20-24)18-15-21-9-5-4-6-10-21/h4-7,9-12,19,24,30H,8,13,15,17-18,20H2,1-3H3/p+1/t24-/m0/s1