7-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 7-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 7-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[2-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-[4-(4-methylquinolin-1-ium-2-yl)piperazino]ethoxy]coumarin Formula: C25H24N3O4+ MolecularWeight: 430.47576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)COC4=CC5=C(C=C4)C=CC(=O)O5

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)COC4=CC5=C(C=C4)C=CC(=O)O5

InChI

InChI=1S/C25H23N3O4/c1-17-14-23(26-21-5-3-2-4-20(17)21)27-10-12-28(13-11-27)24(29)16-31-19-8-6-18-7-9-25(30)32-22(18)15-19/h2-9,14-15H,10-13,16H2,1H3/p+1