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

Systemtic Name: 7-methoxy-4-methyl-3-[3-oxidanylidene-3-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one Openeye Name: 7-methoxy-4-methyl-3-[3-oxo-3-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]propyl]chromen-2-one CAS Name: 7-methoxy-4-methyl-3-[3-oxo-3-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]propyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-methyl-3-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one Traditional Name: 3-[3-keto-3-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]propyl]-7-methoxy-4-methyl-coumarin Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C25H29N3O4/c1-18-21-7-6-20(31-2)17-23(21)32-25(30)22(18)8-9-24(29)28-15-13-27(14-16-28)12-10-19-5-3-4-11-26-19/h3-7,11,17H,8-10,12-16H2,1-2H3/p+1