(3R)-3-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3R)-3-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3R)-3-phenyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isochroman-1-one CAS Name: (3R)-6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-phenyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-3,4-dihydroisochromen-1-one Traditional Name: (3R)-3-phenyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isochroman-1-one Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)C(=O)O[C@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3/c29-24(28-14-12-27(13-15-28)23-8-4-5-11-26-23)19-9-10-21-20(16-19)17-22(31-25(21)30)18-6-2-1-3-7-18/h1-11,16,22H,12-15,17H2/p+1/t22-/m1/s1