4-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Formula: C19H27ClN3O4S+ MolecularWeight: 428.95338

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C19H26ClN3O4S/c1-4-22(5-2)28(25,26)23-8-6-21(7-9-23)13-15-11-19(24)27-18-10-14(3)17(20)12-16(15)18/h10-12H,4-9,13H2,1-3H3/p+1