4-cyano-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]benzenesulfonamide

Systemtic Name: 4-cyano-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]benzenesulfonamide Openeye Name: 4-cyano-N-[(4R)-1'-methylspiro[chromane-2,4'-piperidin-1-ium]-4-yl]benzenesulfonamide CAS Name: 4-cyano-N-[(4R)-1'-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidin-1-ium]yl]benzenesulfonamide IUPAC Name: 4-cyano-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]benzenesulfonamide Traditional Name: 4-cyano-N-[(4R)-1'-methylspiro[chroman-2,4'-piperidin-1-ium]-4-yl]benzenesulfonamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2(CC1)CC(C3=CC=CC=C3O2)NS(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C[NH+]1CCC2(CC1)C[C@H](C3=CC=CC=C3O2)NS(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H23N3O3S/c1-24-12-10-21(11-13-24)14-19(18-4-2-3-5-20(18)27-21)23-28(25,26)17-8-6-16(15-22)7-9-17/h2-9,19,23H,10-14H2,1H3/p+1/t19-/m1/s1