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

Systemtic Name: [4,8-dimethyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanylidene-chromen-7-yl] ethanoate Openeye Name: [4,8-dimethyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxo-ethyl]-2-oxo-chromen-7-yl] acetate CAS Name: acetic acid [4,8-dimethyl-3-[2-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-2-oxoethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4,8-dimethyl-3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxoethyl]-2-oxochromen-7-yl] acetate Traditional Name: acetic acid [2-keto-3-[2-keto-2-[4-(4-methylquinolin-1-ium-2-yl)piperazino]ethyl]-4,8-dimethyl-chromen-7-yl] ester Formula: C29H30N3O5+ MolecularWeight: 500.5656

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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)OC(=O)C)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)OC(=O)C)C)OC4=O)C

InChI

InChI=1S/C29H29N3O5/c1-17-15-26(30-24-8-6-5-7-21(17)24)31-11-13-32(14-12-31)27(34)16-23-18(2)22-9-10-25(36-20(4)33)19(3)28(22)37-29(23)35/h5-10,15H,11-14,16H2,1-4H3/p+1