2-[(3,4-diethoxyphenyl)methyl]-4,4-diphenyl-1H-quinazolin-3-ium

Systemtic Name: 2-[(3,4-diethoxyphenyl)methyl]-4,4-diphenyl-1H-quinazolin-3-ium Openeye Name: 2-[(3,4-diethoxyphenyl)methyl]-4,4-diphenyl-1H-quinazolin-3-ium CAS Name: 2-[(3,4-diethoxyphenyl)methyl]-4,4-diphenyl-1H-quinazolin-3-ium IUPAC Name: 2-[(3,4-diethoxyphenyl)methyl]-4,4-diphenyl-1H-quinazolin-3-ium Traditional Name: 2-(3,4-diethoxybenzyl)-4,4-diphenyl-1H-quinazolin-3-ium Formula: C31H31N2O2+ MolecularWeight: 463.59004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=[NH+]C(C3=CC=CC=C3N2)(C4=CC=CC=C4)C5=CC=CC=C5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=[NH+]C(C3=CC=CC=C3N2)(C4=CC=CC=C4)C5=CC=CC=C5)OCC

InChI

InChI=1S/C31H30N2O2/c1-3-34-28-20-19-23(21-29(28)35-4-2)22-30-32-27-18-12-11-17-26(27)31(33-30,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-21H,3-4,22H2,1-2H3,(H,32,33)/p+1