2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one

Systemtic Name: 2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Openeye Name: 2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one CAS Name: 2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one IUPAC Name: 2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Traditional Name: 2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Formula: C18H18N3O+ MolecularWeight: 292.35502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H17N3O/c22-18-15-7-3-4-8-16(15)19-17(20-18)12-21-10-9-13-5-1-2-6-14(13)11-21/h3-4,7-11H,1-2,5-6,12H2/p+1