3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-(4-methylquinolin-1-ium-2-yl)piperazino]ethyl]quinazolin-4-one Formula: C24H24N5O2+ MolecularWeight: 414.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H23N5O2/c1-17-14-22(26-21-9-5-2-6-18(17)21)27-10-12-28(13-11-27)23(30)15-29-16-25-20-8-4-3-7-19(20)24(29)31/h2-9,14,16H,10-13,15H2,1H3/p+1