6-chloranyl-7-methyl-4-[[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-[(2S)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H24ClN2O4+ MolecularWeight: 391.86856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)C4CCCO4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)[C@@H]4CCCO4)Cl

InChI

InChI=1S/C20H23ClN2O4/c1-13-9-18-15(11-16(13)21)14(10-19(24)27-18)12-22-4-6-23(7-5-22)20(25)17-3-2-8-26-17/h9-11,17H,2-8,12H2,1H3/p+1/t17-/m0/s1