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

Systemtic Name: 4-methyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-7,8-bis(oxidanyl)chromen-2-one Openeye Name: 7,8-dihydroxy-4-methyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxo-ethyl]chromen-2-one CAS Name: 7,8-dihydroxy-4-methyl-3-[2-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-2-oxoethyl]-1-benzopyran-2-one IUPAC Name: 7,8-dihydroxy-4-methyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxoethyl]chromen-2-one Traditional Name: 7,8-dihydroxy-3-[2-keto-2-[4-(4-methylquinolin-1-ium-2-yl)piperazino]ethyl]-4-methyl-coumarin Formula: C26H26N3O5+ MolecularWeight: 460.50174

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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)O)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)O)OC4=O)C

InChI

InChI=1S/C26H25N3O5/c1-15-13-22(27-20-6-4-3-5-17(15)20)28-9-11-29(12-10-28)23(31)14-19-16(2)18-7-8-21(30)24(32)25(18)34-26(19)33/h3-8,13,30,32H,9-12,14H2,1-2H3/p+1