3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one CAS Name: 3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Traditional Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Formula: C20H23N4O+ MolecularWeight: 335.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O/c25-20-18-8-4-5-9-19(18)21-15-24(20)16-23-12-10-22(11-13-23)14-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2/p+1