N,N-diethyl-4-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-sulfonamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23

InChI

InChI=1S/C21H29N3O4S/c1-3-23(4-2)29(26,27)24-10-8-22(9-11-24)15-18-14-21(25)28-20-13-17-7-5-6-16(17)12-19(18)20/h12-14H,3-11,15H2,1-2H3/p+1