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

Systemtic Name: 7-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C19H26NO4+ MolecularWeight: 332.41404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C19H25NO4/c1-14-10-19(22)24-18-11-16(6-7-17(14)18)23-13-15(21)12-20-8-4-2-3-5-9-20/h6-7,10-11,15,21H,2-5,8-9,12-13H2,1H3/p+1/t15-/m0/s1