3-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinazolin-4-one

Systemtic Name: 3-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinazolin-4-one Openeye Name: 3-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinazolin-4-one CAS Name: 3-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-quinazolinone IUPAC Name: 3-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinazolin-4-one Traditional Name: 3-p-phenetyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinazolin-4-one Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H25N3O2/c1-2-31-22-13-11-21(12-14-22)29-25(27-24-10-6-5-9-23(24)26(29)30)18-28-16-15-19-7-3-4-8-20(19)17-28/h3-14H,2,15-18H2,1H3/p+1