2-(1-ethyl-4-thioxanthen-9-ylidene-piperidin-1-ium-1-yl)butanoate hydrochloride

Systemtic Name: 2-(1-ethyl-4-thioxanthen-9-ylidene-piperidin-1-ium-1-yl)butanoate hydrochloride Openeye Name: 2-(1-ethyl-4-thioxanthen-9-ylidene-piperidin-1-ium-1-yl)butanoate hydrochloride CAS Name: 2-[1-ethyl-4-(9-thioxanthenylidene)-1-piperidin-1-iumyl]butanoate hydrochloride IUPAC Name: 2-(1-ethyl-4-thioxanthen-9-ylidenepiperidin-1-ium-1-yl)butanoate hydrochloride Traditional Name: 2-(1-ethyl-4-thioxanthen-9-ylidene-piperidin-1-ium-1-yl)butyrate hydrochloride Formula: C24H28ClNO2S MolecularWeight: 430.00262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[N+]1(CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1)CC.Cl

Isomeric SMILES

CCC(C(=O)[O-])[N+]1(CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1)CC.Cl

InChI

InChI=1S/C24H27NO2S.ClH/c1-3-20(24(26)27)25(4-2)15-13-17(14-16-25)23-18-9-5-7-11-21(18)28-22-12-8-6-10-19(22)23;/h5-12,20H,3-4,13-16H2,1-2H3;1H