3-[4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 3-[4-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]-4-keto-butyl]quinazolin-4-one Formula: C25H25ClN5O2+ MolecularWeight: 462.9513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C25H24ClN5O2/c26-18-7-8-19-22(16-18)27-10-9-23(19)29-12-14-30(15-13-29)24(32)6-3-11-31-17-28-21-5-2-1-4-20(21)25(31)33/h1-2,4-5,7-10,16-17H,3,6,11-15H2/p+1