(2R,3R)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-2,3-dihydrothiochromen-4-one

Systemtic Name: (2R,3R)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-2,3-dihydrothiochromen-4-one Openeye Name: (2R,3R)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-thiochroman-4-one CAS Name: (2R,3R)-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-phenyl-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: (2R,3R)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-2,3-dihydrothiochromen-4-one Traditional Name: (2R,3R)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-thiochroman-4-one Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2C(SC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H]2[C@@H](SC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2OS/c1-22-11-13-23(14-12-22)15-18-20(24)17-9-5-6-10-19(17)25-21(18)16-7-3-2-4-8-16/h2-10,18,21H,11-15H2,1H3/p+1/t18-,21+/m1/s1