(2R,4S)-2-(3,4-dimethoxyphenyl)-3-ethanoyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidine-4-carboxamide

Systemtic Name: (2R,4S)-2-(3,4-dimethoxyphenyl)-3-ethanoyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidine-4-carboxamide Openeye Name: (2R,4S)-3-acetyl-2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)thiazolidine-4-carboxamide CAS Name: (2R,4S)-3-acetyl-2-(3,4-dimethoxyphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-4-thiazolidinecarboxamide IUPAC Name: (2R,4S)-3-acetyl-2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidine-4-carboxamide Traditional Name: (2R,4S)-3-acetyl-2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)thiazolidine-4-carboxamide Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CSC1C2=CC(=C(C=C2)OC)OC)C(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC(=O)N1[C@H](CS[C@@H]1C2=CC(=C(C=C2)OC)OC)C(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-15(25)24-17(20(26)22-9-12-23-10-5-4-6-11-23)14-29-21(24)16-7-8-18(27-2)19(13-16)28-3/h7-8,13,17,21H,4-6,9-12,14H2,1-3H3,(H,22,26)/p+1/t17-,21-/m1/s1