4,8-dimethyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4,8-dimethyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4,8-dimethyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxo-ethyl]chromen-2-one CAS Name: 7-hydroxy-4,8-dimethyl-3-[2-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-2-oxoethyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4,8-dimethyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxoethyl]chromen-2-one Traditional Name: 7-hydroxy-3-[2-keto-2-[4-(4-methylquinolin-1-ium-2-yl)piperazino]ethyl]-4,8-dimethyl-coumarin Formula: C27H28N3O4+ MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CC4=C(C5=C(C(=C(C=C5)O)C)OC4=O)C

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CC4=C(C5=C(C(=C(C=C5)O)C)OC4=O)C

InChI

InChI=1S/C27H27N3O4/c1-16-14-24(28-22-7-5-4-6-19(16)22)29-10-12-30(13-11-29)25(32)15-21-17(2)20-8-9-23(31)18(3)26(20)34-27(21)33/h4-9,14,31H,10-13,15H2,1-3H3/p+1