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

Systemtic Name: 7-methyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C26H31N2O4S+ MolecularWeight: 467.60034

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4S/c1-19(2)23-17-24-22(16-26(29)32-25(24)15-20(23)3)18-27-10-12-28(13-11-27)33(30,31)14-9-21-7-5-4-6-8-21/h4-9,14-17,19H,10-13,18H2,1-3H3/p+1/b14-9+