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

Systemtic Name: 7-methyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 7-methyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 7-methyl-3-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 7-methyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 7-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=CC2=C(C=C1)C(=O)N(C=N2)CCC3CCCC[NH+]3C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C=N2)CC[C@@H]3CCCC[NH+]3C

InChI

InChI=1S/C17H23N3O/c1-13-6-7-15-16(11-13)18-12-20(17(15)21)10-8-14-5-3-4-9-19(14)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3/p+1/t14-/m0/s1