2-[[(3S)-3-aminocarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-7-chloranyl-quinazolin-4-olate

Systemtic Name: 2-[[(3S)-3-aminocarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-7-chloro-quinazolin-4-olate Formula: C19H17ClN4O2 MolecularWeight: 368.81688

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-])C(=O)N

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-])C(=O)N

InChI

InChI=1S/C19H17ClN4O2/c20-13-5-6-14-15(8-13)22-17(23-19(14)26)10-24-9-12-4-2-1-3-11(12)7-16(24)18(21)25/h1-6,8,16H,7,9-10H2,(H2,21,25)(H,22,23,26)/t16-/m0/s1