6-ethyl-4-methyl-8-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-methyl-8-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-8-[(4-mesylpiperazin-1-ium-1-yl)methyl]-4-methyl-coumarin Formula: C18H25N2O5S+ MolecularWeight: 381.4665

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)S(=O)(=O)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)S(=O)(=O)C)O

InChI

InChI=1S/C18H24N2O5S/c1-4-13-10-14-12(2)9-16(21)25-18(14)15(17(13)22)11-19-5-7-20(8-6-19)26(3,23)24/h9-10,22H,4-8,11H2,1-3H3/p+1