4,8-dimethyl-7-(2-methylprop-2-enoxy)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one

Systemtic Name: 4,8-dimethyl-7-(2-methylprop-2-enoxy)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one Openeye Name: 4,8-dimethyl-7-(2-methylallyloxy)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one CAS Name: 4,8-dimethyl-7-(2-methylprop-2-enoxy)-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-benzopyran-2-one IUPAC Name: 4,8-dimethyl-7-(2-methylprop-2-enoxy)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one Traditional Name: 3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-4,8-dimethyl-7-(2-methylallyloxy)coumarin Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=C)C)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=C)C)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C27H31N3O4/c1-18(2)17-33-23-10-8-21-19(3)22(27(32)34-26(21)20(23)4)9-11-25(31)30-15-13-29(14-16-30)24-7-5-6-12-28-24/h5-8,10,12H,1,9,11,13-17H2,2-4H3/p+1