(3R)-3-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3R)-3-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3R)-3-phenyl-6-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]isochroman-1-one CAS Name: (3R)-6-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3R)-3-phenyl-6-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]isochroman-1-one Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=C(C=C3)C(=O)O[C@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c30-25(29-14-12-28(13-15-29)18-19-8-10-27-11-9-19)21-6-7-23-22(16-21)17-24(32-26(23)31)20-4-2-1-3-5-20/h1-11,16,24H,12-15,17-18H2/p+1/t24-/m1/s1