3-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one

Systemtic Name: 3-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 3-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 3-[3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-7-methoxy-4-methyl-coumarin Formula: C20H27N2O5+ MolecularWeight: 375.43878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C20H26N2O5/c1-14-16-4-3-15(26-2)13-18(16)27-20(25)17(14)5-6-19(24)22-9-7-21(8-10-22)11-12-23/h3-4,13,23H,5-12H2,1-2H3/p+1