6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-3-[2-keto-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]-4-methyl-coumarin Formula: C23H25ClN3O4+ MolecularWeight: 442.9153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C23H24ClN3O4/c1-15-17-12-19(24)20(28)14-21(17)31-23(30)18(15)13-22(29)27-10-8-26(9-11-27)7-4-16-2-5-25-6-3-16/h2-3,5-6,12,14,28H,4,7-11,13H2,1H3/p+1