4-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-1-iumyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-coumarin Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4CCS(=O)(=O)C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)[C@H]4CCS(=O)(=O)C4)C(C)C

InChI

InChI=1S/C22H30N2O4S/c1-15(2)19-12-20-17(11-22(25)28-21(20)10-16(19)3)13-23-5-7-24(8-6-23)18-4-9-29(26,27)14-18/h10-12,15,18H,4-9,13-14H2,1-3H3/p+1/t18-/m0/s1