2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H19N3O/c1-11-5-4-8-18(9-11)10-14-16-13-7-3-2-6-12(13)15(19)17-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,17,19)/p+1/t11-/m0/s1