4-methyl-3-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-methyl-3-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxo-propyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[3-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-3-oxopropyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxopropyl]chromen-2-one Traditional Name: 7-hydroxy-3-[3-keto-3-[4-(4-methylquinolin-1-ium-2-yl)piperazino]propyl]-4-methyl-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)CCC4=C(C5=C(C=C(C=C5)O)OC4=O)C

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CCC4=C(C5=C(C=C(C=C5)O)OC4=O)C

InChI

InChI=1S/C27H27N3O4/c1-17-15-25(28-23-6-4-3-5-20(17)23)29-11-13-30(14-12-29)26(32)10-9-22-18(2)21-8-7-19(31)16-24(21)34-27(22)33/h3-8,15-16,31H,9-14H2,1-2H3/p+1