4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C20H29N3O4S/c1-5-22(6-2)28(25,26)23-11-9-21(10-12-23)14-17-13-19(24)27-20-16(4)15(3)7-8-18(17)20/h7-8,13H,5-6,9-12,14H2,1-4H3/p+1