6,8-bis(chloranyl)-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one

Systemtic Name: 6,8-bis(chloranyl)-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 6,8-dichloro-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 6,8-dichloro-3-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 6,8-dichloro-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 6,8-dichloro-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Formula: C16H20Cl2N3O+ MolecularWeight: 341.2555

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCN2C=NC3=C(C=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCN2C=NC3=C(C=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C16H19Cl2N3O/c1-20-6-3-2-4-12(20)5-7-21-10-19-15-13(16(21)22)8-11(17)9-14(15)18/h8-10,12H,2-7H2,1H3/p+1/t12-/m0/s1