3-[(2,5-dimethylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one CAS Name: 3-[(2,5-dimethylphenyl)methyl]-2-(4-morpholin-4-iumylmethyl)-4-quinazolinone IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Traditional Name: 3-(2,5-dimethylbenzyl)-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O2/c1-16-7-8-17(2)18(13-16)14-25-21(15-24-9-11-27-12-10-24)23-20-6-4-3-5-19(20)22(25)26/h3-8,13H,9-12,14-15H2,1-2H3/p+1