2-(azepan-1-ium-1-yl)quinazolin-4-amine chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)quinazolin-4-amine chloride Openeye Name: 2-(azepan-1-ium-1-yl)quinazolin-4-amine chloride CAS Name: 2-(1-azepan-1-iumyl)-4-quinazolinamine chloride IUPAC Name: 2-(azepan-1-ium-1-yl)quinazolin-4-amine chloride Traditional Name: [2-(azepan-1-ium-1-yl)quinazolin-4-yl]amine chloride Formula: C14H19ClN4 MolecularWeight: 278.78046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2=NC3=CC=CC=C3C(=N2)N.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)C2=NC3=CC=CC=C3C(=N2)N.[Cl-]

InChI

InChI=1S/C14H18N4.ClH/c15-13-11-7-3-4-8-12(11)16-14(17-13)18-9-5-1-2-6-10-18;/h3-4,7-8H,1-2,5-6,9-10H2,(H2,15,16,17);1H