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

Systemtic Name: 3-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]quinazolin-4-one Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21ClN4O2/c22-17-5-3-4-16(12-17)13-24-8-10-25(11-9-24)20(27)14-26-15-23-19-7-2-1-6-18(19)21(26)28/h1-7,12,15H,8-11,13-14H2/p+1