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

Systemtic Name: 4-methyl-7-(2-methylprop-2-enoxy)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one Openeye Name: 4-methyl-7-(2-methylallyloxy)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one CAS Name: 4-methyl-7-(2-methylprop-2-enoxy)-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-benzopyran-2-one IUPAC Name: 4-methyl-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-methyl-7-(2-methylallyloxy)coumarin Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H29N3O4/c1-18(2)17-32-20-7-8-21-19(3)22(26(31)33-23(21)16-20)9-10-25(30)29-14-12-28(13-15-29)24-6-4-5-11-27-24/h4-8,11,16H,1,9-10,12-15,17H2,2-3H3/p+1