6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-4-phenyl-7-propan-2-yloxy-chromen-2-one

Systemtic Name: 6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-4-phenyl-7-propan-2-yloxy-chromen-2-one Openeye Name: 7-isopropoxy-6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-4-phenyl-chromen-2-one CAS Name: 6-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-4-phenyl-7-propan-2-yloxy-1-benzopyran-2-one IUPAC Name: 6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-4-phenyl-7-propan-2-yloxychromen-2-one Traditional Name: 7-isopropoxy-6-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-4-phenyl-coumarin Formula: C30H32N3O4+ MolecularWeight: 498.59278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC(C)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C30H31N3O4/c1-21(2)36-26-20-27-25(24(19-30(35)37-27)22-8-4-3-5-9-22)18-23(26)11-12-29(34)33-16-14-32(15-17-33)28-10-6-7-13-31-28/h3-10,13,18-21H,11-12,14-17H2,1-2H3/p+1