3-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]quinazolin-4-one Openeye Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]quinazolin-4-one CAS Name: 3-[4-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]butyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]quinazolin-4-one Traditional Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butyl]quinazolin-4-one Formula: C22H26ClN4O+ MolecularWeight: 397.92104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-17-24-21-9-2-1-8-20(21)22(27)28/h1-2,5-9,16-17H,3-4,10-15H2/p+1