N-methyl-1-[3-oxidanylidene-3-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-methyl-1-[3-oxidanylidene-3-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propyl]piperidin-1-ium-4-carboxamide Openeye Name: N-methyl-1-[3-oxo-3-[[(R)-phenyl(2-thienyl)methyl]amino]propyl]piperidin-1-ium-4-carboxamide CAS Name: N-methyl-1-[3-oxo-3-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-methyl-1-[3-oxo-3-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-keto-3-[[(R)-phenyl(2-thienyl)methyl]amino]propyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC[NH+](CC1)CCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CNC(=O)C1CC[NH+](CC1)CCC(=O)N[C@H](C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-22-21(26)17-9-12-24(13-10-17)14-11-19(25)23-20(18-8-5-15-27-18)16-6-3-2-4-7-16/h2-8,15,17,20H,9-14H2,1H3,(H,22,26)(H,23,25)/p+1/t20-/m1/s1