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

Systemtic Name: 7-chloranyl-2-[[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-[(2-hydroxyanilino)-oxomethyl]-1-piperidin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C21H21ClN4O3/c22-14-5-6-15-17(11-14)23-19(25-21(15)29)12-26-9-7-13(8-10-26)20(28)24-16-3-1-2-4-18(16)27/h1-6,11,13,27H,7-10,12H2,(H,24,28)(H,23,25,29)