N-[(3S,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-yl]-N-phenyl-propanamide

Systemtic Name: N-[(3S,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-yl]-N-phenyl-propanamide Openeye Name: N-[(3S,4S)-3-methyl-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide CAS Name: N-[(3S,4S)-3-methyl-1-(2-thiophen-2-ylethyl)-4-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: N-[(3S,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-yl]-N-phenylpropanamide Traditional Name: N-[(3S,4S)-3-methyl-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-yl]-N-phenyl-propionamide Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC[NH+](CC1C)CCC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N([C@H]1CC[NH+](C[C@@H]1C)CCC2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3/p+1/t17-,20-/m0/s1