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

Systemtic Name: 7-chloranyl-2-[(4-piperidin-1-ylcarbonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-[oxo(1-piperidinyl)methyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C19H24ClN5O2 MolecularWeight: 389.87916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C19H24ClN5O2/c20-14-4-5-15-16(12-14)21-17(22-18(15)26)13-23-8-10-25(11-9-23)19(27)24-6-2-1-3-7-24/h4-5,12H,1-3,6-11,13H2,(H,21,22,26)