6,7-dimethyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C24H27N2O4S+ MolecularWeight: 439.54718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N2O4S/c1-18-14-22-21(16-24(27)30-23(22)15-19(18)2)17-25-9-11-26(12-10-25)31(28,29)13-8-20-6-4-3-5-7-20/h3-8,13-16H,9-12,17H2,1-2H3/p+1/b13-8+