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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

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