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

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-7-chloro-quinazolin-4-olate Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C21H27ClN4O2/c22-16-5-6-17-18(13-16)23-19(24-20(17)27)14-25-11-7-15(8-12-25)21(28)26-9-3-1-2-4-10-26/h5-6,13,15H,1-4,7-12,14H2,(H,23,24,27)