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

Systemtic Name: 4,8-dimethyl-3-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4,8-dimethyl-3-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxo-propyl]chromen-2-one CAS Name: 7-hydroxy-4,8-dimethyl-3-[3-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-3-oxopropyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4,8-dimethyl-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]-4,8-dimethyl-coumarin Formula: C28H30N3O4+ MolecularWeight: 472.5555

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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)C)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)C)OC4=O)C

InChI

InChI=1S/C28H29N3O4/c1-17-16-25(29-23-7-5-4-6-20(17)23)30-12-14-31(15-13-30)26(33)11-9-22-18(2)21-8-10-24(32)19(3)27(21)35-28(22)34/h4-8,10,16,32H,9,11-15H2,1-3H3/p+1