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

Systemtic Name: N,N-diethyl-4-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[(7-hydroxy-2-keto-chromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide Formula: C18H26N3O5S+ MolecularWeight: 396.48114

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C18H25N3O5S/c1-3-20(4-2)27(24,25)21-9-7-19(8-10-21)13-14-11-18(23)26-17-12-15(22)5-6-16(14)17/h5-6,11-12,22H,3-4,7-10,13H2,1-2H3/p+1