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

Systemtic Name: 3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one Openeye Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-4-quinazolinone IUPAC Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]quinazolin-4-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O2/c27-21(10-11-26-17-23-20-9-5-4-8-19(20)22(26)28)25-14-12-24(13-15-25)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2/p+1