[4-[7-[4-(diethylazaniumyl)butanoyl]-9H-thioxanthen-2-yl]-4-oxidanylidene-butyl]-diethyl-azanium dichloride

Systemtic Name: [4-[7-[4-(diethylazaniumyl)butanoyl]-9H-thioxanthen-2-yl]-4-oxidanylidene-butyl]-diethyl-azanium dichloride Openeye Name: [4-[7-[4-(diethylammonio)butanoyl]-9H-thioxanthen-2-yl]-4-oxo-butyl]-diethyl-ammonium dichloride CAS Name: [4-[7-[4-(diethylammonio)-1-oxobutyl]-9H-thioxanthen-2-yl]-4-oxobutyl]-diethylammonium dichloride IUPAC Name: [4-[7-[4-(diethylazaniumyl)butanoyl]-9H-thioxanthen-2-yl]-4-oxobutyl]-diethylazanium dichloride Traditional Name: [4-[7-[4-(diethylammonio)butanoyl]-9H-thioxanthen-2-yl]-4-keto-butyl]-diethyl-ammonium dichloride Formula: C29H42Cl2N2O2S MolecularWeight: 553.62698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(=O)C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(=O)CCC[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCC(=O)C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(=O)CCC[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C29H40N2O2S.2ClH/c1-5-30(6-2)17-9-11-26(32)22-13-15-28-24(19-22)21-25-20-23(14-16-29(25)34-28)27(33)12-10-18-31(7-3)8-4;;/h13-16,19-20H,5-12,17-18,21H2,1-4H3;2*1H