9-phenylmethoxy-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one

Systemtic Name: 9-phenylmethoxy-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one Openeye Name: 9-benzyloxy-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one CAS Name: 4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-9-phenylmethoxy-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one IUPAC Name: 9-phenylmethoxy-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one Traditional Name: 9-benzoxy-4-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one Formula: C29H30N5O4+ MolecularWeight: 512.5796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)OC3=C2C=C(C=C3)OCC4=CC=CC=C4)N(C1)C(=O)C[NH+]5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

C1CC2=C(C(=O)OC3=C2C=C(C=C3)OCC4=CC=CC=C4)N(C1)C(=O)C[NH+]5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C29H29N5O4/c35-26(19-32-14-16-33(17-15-32)29-30-11-5-12-31-29)34-13-4-8-23-24-18-22(37-20-21-6-2-1-3-7-21)9-10-25(24)38-28(36)27(23)34/h1-3,5-7,9-12,18H,4,8,13-17,19-20H2/p+1