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

Systemtic Name: 6-chloranyl-7-methoxy-4-methyl-3-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 6-chloro-7-methoxy-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-methoxy-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-methoxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 6-chloro-3-[2-keto-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]-7-methoxy-4-methyl-coumarin Formula: C24H27ClN3O4+ MolecularWeight: 456.94188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O4/c1-16-18-13-20(25)22(31-2)15-21(18)32-24(30)19(16)14-23(29)28-11-9-27(10-12-28)8-5-17-3-6-26-7-4-17/h3-4,6-7,13,15H,5,8-12,14H2,1-2H3/p+1