2-(2-chloranyl-3-ethyl-6-piperidin-1-yl-4H-quinazolin-3-ium-3-yl)ethanoate

Systemtic Name: 2-(2-chloranyl-3-ethyl-6-piperidin-1-yl-4H-quinazolin-3-ium-3-yl)ethanoate Openeye Name: 2-[2-chloro-3-ethyl-6-(1-piperidyl)-4H-quinazolin-3-ium-3-yl]acetate CAS Name: 2-[2-chloro-3-ethyl-6-(1-piperidinyl)-4H-quinazolin-3-ium-3-yl]acetate IUPAC Name: 2-(2-chloro-3-ethyl-6-piperidin-1-yl-4H-quinazolin-3-ium-3-yl)acetate Traditional Name: 2-(2-chloro-3-ethyl-6-piperidino-4H-quinazolin-3-ium-3-yl)acetate Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2=C(C=CC(=C2)N3CCCCC3)N=C1Cl)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CC2=C(C=CC(=C2)N3CCCCC3)N=C1Cl)CC(=O)[O-]

InChI

InChI=1S/C17H22ClN3O2/c1-2-21(12-16(22)23)11-13-10-14(20-8-4-3-5-9-20)6-7-15(13)19-17(21)18/h6-7,10H,2-5,8-9,11-12H2,1H3