4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C24H26NO4+ MolecularWeight: 392.46754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H25NO4/c1-16-5-7-19-18(14-24(26)29-22(19)12-16)15-25-9-2-4-20(25)17-6-8-21-23(13-17)28-11-3-10-27-21/h5-8,12-14,20H,2-4,9-11,15H2,1H3/p+1/t20-/m0/s1