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

Systemtic Name: 4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 7-hydroxy-3-[2-keto-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]-4-methyl-coumarin Formula: C23H26N3O4+ MolecularWeight: 408.47024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-16-19-6-5-18(27)14-21(19)30-23(29)20(16)15-22(28)26-12-10-25(11-13-26)9-7-17-4-2-3-8-24-17/h2-6,8,14,27H,7,9-13,15H2,1H3/p+1