4,8-dimethyl-7-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 4,8-dimethyl-7-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 4,8-dimethyl-7-(2-methylallyloxy)-3-[2-oxo-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one CAS Name: 4,8-dimethyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 4,8-dimethyl-7-(2-methylprop-2-enoxy)-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]-4,8-dimethyl-7-(2-methylallyloxy)coumarin Formula: C28H34N3O4+ MolecularWeight: 476.58726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=C)C)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=C)C)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C28H33N3O4/c1-19(2)18-34-25-9-8-23-20(3)24(28(33)35-27(23)21(25)4)17-26(32)31-15-13-30(14-16-31)12-10-22-7-5-6-11-29-22/h5-9,11H,1,10,12-18H2,2-4H3/p+1