(3S)-2-[(4-phenylquinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(4-phenylquinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(4-phenylquinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(4-phenyl-2-quinazolinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(4-phenylquinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[(4-phenylquinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C25H23N4O+ MolecularWeight: 395.47632

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C25H22N4O/c26-25(30)22-14-18-10-4-5-11-19(18)15-29(22)16-23-27-21-13-7-6-12-20(21)24(28-23)17-8-2-1-3-9-17/h1-13,22H,14-16H2,(H2,26,30)/p+1/t22-/m0/s1