2-[(1R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C23H28N4O+2 MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-18(22-24-21-12-6-5-11-20(21)23(28)25-22)27-16-14-26(15-17-27)13-7-10-19-8-3-2-4-9-19/h2-12,18H,13-17H2,1H3,(H,24,25,28)/p+2/b10-7+/t18-/m1/s1