3-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]quinazolin-4-one

Systemtic Name: 3-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]quinazolin-4-one Openeye Name: 3-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-4-quinazolinone IUPAC Name: 3-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]quinazolin-4-one Traditional Name: 3-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]quinazolin-4-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O2/c1-17(26-16-23-20-10-6-5-9-19(20)22(26)28)21(27)25-13-11-24(12-14-25)15-18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3/p+1/t17-/m0/s1