2-[(3-chloranyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[(3-chloranyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]ethyl-diethyl-azanium dichloride Openeye Name: 2-[(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]ethyl-diethyl-ammonium dichloride CAS Name: 2-[(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)thio]ethyl-diethylammonium dichloride IUPAC Name: 2-[(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]ethyl-diethylazanium dichloride Traditional Name: 2-[(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)thio]ethyl-diethyl-ammonium dichloride Formula: C20H29Cl3N2S MolecularWeight: 435.88166

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=C2CCCCCC2=[NH+]C3=C1C=CC(=C3)Cl.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCSC1=C2CCCCCC2=[NH+]C3=C1C=CC(=C3)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C20H27ClN2S.2ClH/c1-3-23(4-2)12-13-24-20-16-8-6-5-7-9-18(16)22-19-14-15(21)10-11-17(19)20;;/h10-11,14H,3-9,12-13H2,1-2H3;2*1H