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

Systemtic Name: 6-chloranyl-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 6-chloro-4-methyl-7-(2-methylallyloxy)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 6-chloro-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C25H27ClN3O4+ MolecularWeight: 468.95258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H26ClN3O4/c1-16(2)15-32-22-14-21-18(12-20(22)26)17(3)19(25(31)33-21)13-24(30)29-10-8-28(9-11-29)23-6-4-5-7-27-23/h4-7,12,14H,1,8-11,13,15H2,2-3H3/p+1