2-[4-[(7-chloranylquinazolin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(7-chloranylquinazolin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(7-chloro-4-quinazolinyl)amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H23ClN5O+ MolecularWeight: 396.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=NC=NC3=C2C=CC(=C3)Cl)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=NC=NC3=C2C=CC(=C3)Cl)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5O/c22-15-6-7-18-19(12-15)23-14-24-21(18)26-17-8-10-27(11-9-17)13-20(28)25-16-4-2-1-3-5-16/h1-7,12,14,17H,8-11,13H2,(H,25,28)(H,23,24,26)/p+1