7,8-dimethyl-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 4-[(4-mesylpiperazin-1-ium-1-yl)methyl]-7,8-dimethyl-coumarin Formula: C17H23N2O4S+ MolecularWeight: 351.44052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C17H22N2O4S/c1-12-4-5-15-14(10-16(20)23-17(15)13(12)2)11-18-6-8-19(9-7-18)24(3,21)22/h4-5,10H,6-9,11H2,1-3H3/p+1