4-methyl-7-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methyl-coumarin Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CC[NH+](CC3)C)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](CN3CC[NH+](CC3)C)O

InChI

InChI=1S/C18H24N2O4/c1-13-9-18(22)24-17-10-15(3-4-16(13)17)23-12-14(21)11-20-7-5-19(2)6-8-20/h3-4,9-10,14,21H,5-8,11-12H2,1-2H3/p+1/t14-/m0/s1