7-chloranyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-chloro-quinazolin-4-olate CAS Name: 7-chloro-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-chloro-quinazolin-4-olate Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C21H22ClN3O/c22-17-6-7-18-19(13-17)23-20(24-21(18)26)14-25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,24,26)