2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinazolin-4-amine chloride hydrochloride

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinazolin-4-amine chloride hydrochloride Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]quinazolin-4-amine chloride hydrochloride CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-4-quinazolinamine chloride hydrochloride IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinazolin-4-amine chloride hydrochloride Traditional Name: [2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]quinazolin-4-yl]amine chloride hydrochloride Formula: C21H25Cl2N5 MolecularWeight: 418.3627

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)N.Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)N.Cl.[Cl-]

InChI

InChI=1S/C21H23N5.2ClH/c22-20-18-10-4-5-11-19(18)23-21(24-20)26-15-13-25(14-16-26)12-6-9-17-7-2-1-3-8-17;;/h1-11H,12-16H2,(H2,22,23,24);2*1H/b9-6+;;