3-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione CAS Name: 3-[(2R)-2-(4-phenyl-1-piperazin-1-iumyl)propyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]-1H-quinazoline-2,4-quinone Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=CC=CC=C2NC1=O)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CN1C(=O)C2=CC=CC=C2NC1=O)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2/c1-16(23-11-13-24(14-12-23)17-7-3-2-4-8-17)15-25-20(26)18-9-5-6-10-19(18)22-21(25)27/h2-10,16H,11-15H2,1H3,(H,22,27)/p+1/t16-/m1/s1