6-[3-(2-chloroethyl)-4,5-dihydro-1,2,3-triazol-3-ium-1-yl]-N-(3-chlorophenyl)quinazolin-4-amine

Systemtic Name: 6-[3-(2-chloroethyl)-4,5-dihydro-1,2,3-triazol-3-ium-1-yl]-N-(3-chlorophenyl)quinazolin-4-amine Openeye Name: 6-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]-N-(3-chlorophenyl)quinazolin-4-amine CAS Name: 6-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]-N-(3-chlorophenyl)-4-quinazolinamine IUPAC Name: 6-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]-N-(3-chlorophenyl)quinazolin-4-amine Traditional Name: [6-[3-(2-chloroethyl)-4,5-dihydrotriazol-3-ium-1-yl]quinazolin-4-yl]-(3-chlorophenyl)amine Formula: C18H17Cl2N6+ MolecularWeight: 388.27378

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=NN1C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)CCCl

Isomeric SMILES

C1C[N+](=NN1C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)CCCl

InChI

InChI=1S/C18H17Cl2N6/c19-6-7-25-8-9-26(24-25)15-4-5-17-16(11-15)18(22-12-21-17)23-14-3-1-2-13(20)10-14/h1-5,10-12H,6-9H2,(H,21,22,23)/q+1