ethyl (3S)-1-[(4-azanyl-7-chloranyl-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-azanyl-7-chloranyl-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-amino-7-chloro-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-amino-7-chloro-2-quinazolinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4-amino-7-chloro-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N

InChI

InChI=1S/C17H21ClN4O2/c1-2-24-17(23)11-4-3-7-22(9-11)10-15-20-14-8-12(18)5-6-13(14)16(19)21-15/h5-6,8,11H,2-4,7,9-10H2,1H3,(H2,19,20,21)/p+1/t11-/m0/s1