1-(3-thioxanthen-9-ylidenepropyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(3-thioxanthen-9-ylidenepropyl)piperidine-3-carboxylic acid Openeye Name: 1-(3-thioxanthen-9-ylidenepropyl)piperidine-3-carboxylic acid CAS Name: 1-[3-(9-thioxanthenylidene)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3-thioxanthen-9-ylidenepropyl)piperidine-3-carboxylic acid Traditional Name: 1-(3-thioxanthen-9-ylidenepropyl)nipecotic acid Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC=C2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCC=C2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C22H23NO2S/c24-22(25)16-7-5-13-23(15-16)14-6-10-17-18-8-1-3-11-20(18)26-21-12-4-2-9-19(17)21/h1-4,8-12,16H,5-7,13-15H2,(H,24,25)