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

Systemtic Name: 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]butanamide Openeye Name: 4-(2,5-dimethyl-3-thienyl)-4-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]butanamide CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxo-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]butanamide IUPAC Name: 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]butanamide Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]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)NCC(C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC[C@@H](C2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O2S/c1-16-14-19(17(2)27-16)21(25)10-11-22(26)23-15-20(24-12-6-7-13-24)18-8-4-3-5-9-18/h3-5,8-9,14,20H,6-7,10-13,15H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1