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

Systemtic Name: 7-chloranyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C15H18ClN3O MolecularWeight: 291.77592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-]

InChI

InChI=1S/C15H18ClN3O/c1-10-3-2-6-19(8-10)9-14-17-13-7-11(16)4-5-12(13)15(20)18-14/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,18,20)/t10-/m0/s1