N-cyclopropyl-3-[1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-cyclopropyl-3-[1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-cyclopropyl-3-[1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-cyclopropyl-3-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-cyclopropyl-3-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]piperidin-1-ium-4-yl]propionamide Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC3CC3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC3CC3)O

InChI

InChI=1S/C23H32N2O2/c1-23(2,27)14-11-18-3-5-20(6-4-18)17-25-15-12-19(13-16-25)7-10-22(26)24-21-8-9-21/h3-6,19,21,27H,7-10,12-13,15-17H2,1-2H3,(H,24,26)/p+1