N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 4-(2-ketopyrrolidino)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)N3CCCC3=O)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)N3CCCC3=O)C4=CC=CS4

InChI

InChI=1S/C23H29N3O2S/c1-17-10-13-25(14-11-17)20(21-4-3-15-29-21)16-24-23(28)18-6-8-19(9-7-18)26-12-2-5-22(26)27/h3-4,6-9,15,17,20H,2,5,10-14,16H2,1H3,(H,24,28)/p+1/t20-/m0/s1