7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one

Systemtic Name: 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 7,8-dimethyl-3-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Formula: C18H26N3O+ MolecularWeight: 300.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C=N2)CCC3CCCC[NH+]3C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C=N2)CC[C@@H]3CCCC[NH+]3C)C

InChI

InChI=1S/C18H25N3O/c1-13-7-8-16-17(14(13)2)19-12-21(18(16)22)11-9-15-6-4-5-10-20(15)3/h7-8,12,15H,4-6,9-11H2,1-3H3/p+1/t15-/m0/s1