5-methoxy-4,7-dimethyl-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 5-methoxy-4,7-dimethyl-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 5-methoxy-4,7-dimethyl-3-[2-oxo-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one CAS Name: 5-methoxy-4,7-dimethyl-3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 5-methoxy-4,7-dimethyl-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 3-[2-keto-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]-5-methoxy-4,7-dimethyl-coumarin Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C)C(=C1)OC

InChI

InChI=1S/C25H29N3O4/c1-17-14-21(31-3)24-18(2)20(25(30)32-22(24)15-17)16-23(29)28-12-10-27(11-13-28)9-7-19-6-4-5-8-26-19/h4-6,8,14-15H,7,9-13,16H2,1-3H3/p+1