3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-1H-quinazoline-2,4-dione CAS Name: 3-[4-[(3S)-3-methyl-1-piperidin-1-iumyl]butyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-1H-quinazoline-2,4-quinone Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCCN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCCN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C18H25N3O2/c1-14-7-6-11-20(13-14)10-4-5-12-21-17(22)15-8-2-3-9-16(15)19-18(21)23/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,19,23)/p+1/t14-/m0/s1