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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)N(CC)CC

InChI

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