4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(5-chloro-2-thienyl)-4-oxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxo-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(5-chlorothiophen-2-yl)-4-oxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C21H26ClN2O2S+ MolecularWeight: 405.96134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c22-20-10-9-19(27-20)18(25)8-11-21(26)23-14-16-6-2-3-7-17(16)15-24-12-4-1-5-13-24/h2-3,6-7,9-10H,1,4-5,8,11-15H2,(H,23,26)/p+1