N-[4-(3-methylphenyl)phenyl]-1-[[5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-[[5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(3-hydroxyprop-1-ynyl)-2-thiophenyl]methyl]-N-[4-(3-methylphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C27H29N2O2S+ MolecularWeight: 445.59636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CC=C(S4)C#CCO

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CC=C(S4)C#CCO

InChI

InChI=1S/C27H28N2O2S/c1-20-4-2-5-23(18-20)21-7-9-24(10-8-21)28-27(31)22-13-15-29(16-14-22)19-26-12-11-25(32-26)6-3-17-30/h2,4-5,7-12,18,22,30H,13-17,19H2,1H3,(H,28,31)/p+1