4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(2,5-dimethyl-3-thienyl)-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O2S/c1-16-13-20(17(2)27-16)21(25)9-10-22(26)23-14-18-7-3-4-8-19(18)15-24-11-5-6-12-24/h3-4,7-8,13H,5-6,9-12,14-15H2,1-2H3,(H,23,26)/p+1