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

Systemtic Name: 7-chloranyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Formula: C19H19ClN4O MolecularWeight: 354.83336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H19ClN4O/c20-14-6-7-16-17(12-14)21-18(22-19(16)25)13-23-8-10-24(11-9-23)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,22,25)