2-(4-thioxanthen-9-ylidenepiperidin-1-yl)propanoate hydrochloride

Systemtic Name: 2-(4-thioxanthen-9-ylidenepiperidin-1-yl)propanoate hydrochloride Openeye Name: 2-(4-thioxanthen-9-ylidene-1-piperidyl)propanoate hydrochloride CAS Name: 2-[4-(9-thioxanthenylidene)-1-piperidinyl]propanoate hydrochloride IUPAC Name: 2-(4-thioxanthen-9-ylidenepiperidin-1-yl)propanoate hydrochloride Traditional Name: 2-(4-thioxanthen-9-ylidenepiperidino)propionate hydrochloride Formula: C21H21ClNO2S- MolecularWeight: 386.91494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1.Cl

Isomeric SMILES

CC(C(=O)[O-])N1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1.Cl

InChI

InChI=1S/C21H21NO2S.ClH/c1-14(21(23)24)22-12-10-15(11-13-22)20-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)20;/h2-9,14H,10-13H2,1H3,(H,23,24);1H/p-1