3-[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]-1H-quinazoline-2,4-dione CAS Name: 3-[(2R)-3-methyl-2-(4-methyl-1-piperazin-1-iumyl)butyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[(2R)-3-methyl-2-(4-methylpiperazin-1-ium-1-yl)butyl]-1H-quinazoline-2,4-quinone Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2/c1-13(2)16(21-10-8-20(3)9-11-21)12-22-17(23)14-6-4-5-7-15(14)19-18(22)24/h4-7,13,16H,8-12H2,1-3H3,(H,19,24)/p+1/t16-/m0/s1