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

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-3-(4-ethoxyphenyl)quinazolin-4-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-3-(4-ethoxyphenyl)quinazolin-4-one CAS Name: 2-(1-azepan-1-iumylmethyl)-3-(4-ethoxyphenyl)-4-quinazolinone IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-3-(4-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-3-p-phenetyl-quinazolin-4-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C23H27N3O2/c1-2-28-19-13-11-18(12-14-19)26-22(17-25-15-7-3-4-8-16-25)24-21-10-6-5-9-20(21)23(26)27/h5-6,9-14H,2-4,7-8,15-17H2,1H3/p+1