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

Systemtic Name: 7-chloranyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 7-chloro-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 7-chloro-3-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 7-chloro-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 7-chloro-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Formula: C16H21ClN3O+ MolecularWeight: 306.81044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCN2C=NC3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCN2C=NC3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C16H20ClN3O/c1-19-8-3-2-4-13(19)7-9-20-11-18-15-10-12(17)5-6-14(15)16(20)21/h5-6,10-11,13H,2-4,7-9H2,1H3/p+1/t13-/m0/s1