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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C23H24ClN2O4S+ MolecularWeight: 459.96566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN2O4S/c1-17-13-22-20(15-21(17)24)19(14-23(27)30-22)16-25-8-10-26(11-9-25)31(28,29)12-7-18-5-3-2-4-6-18/h2-7,12-15H,8-11,16H2,1H3/p+1/b12-7+