N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-oxidanylidene-chromene-6-sulfonamide

Systemtic Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-oxidanylidene-chromene-6-sulfonamide Openeye Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-oxo-chromene-6-sulfonamide CAS Name: N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-2-oxo-1-benzopyran-6-sulfonamide IUPAC Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-oxochromene-6-sulfonamide Traditional Name: 2-keto-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]chromene-6-sulfonamide Formula: C23H27N2O4S+ MolecularWeight: 427.53648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C23H26N2O4S/c1-17-10-12-25(13-11-17)16-19-4-2-18(3-5-19)15-24-30(27,28)21-7-8-22-20(14-21)6-9-23(26)29-22/h2-9,14,17,24H,10-13,15-16H2,1H3/p+1