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

Systemtic Name: 8-methyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 8-methyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 8-methyl-3-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 8-methyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 8-methyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC3CCCC[NH+]3C

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC[C@@H]3CCCC[NH+]3C

InChI

InChI=1S/C17H23N3O/c1-13-6-5-8-15-16(13)18-12-20(17(15)21)11-9-14-7-3-4-10-19(14)2/h5-6,8,12,14H,3-4,7,9-11H2,1-2H3/p+1/t14-/m0/s1