2-methyl-5-piperazin-4-ium-1-yl-quinazolin-4-amine

Systemtic Name: 2-methyl-5-piperazin-4-ium-1-yl-quinazolin-4-amine Openeye Name: 2-methyl-5-piperazin-4-ium-1-yl-quinazolin-4-amine CAS Name: 2-methyl-5-(1-piperazin-4-iumyl)-4-quinazolinamine IUPAC Name: 2-methyl-5-piperazin-4-ium-1-ylquinazolin-4-amine Traditional Name: (2-methyl-5-piperazin-4-ium-1-yl-quinazolin-4-yl)amine Formula: C13H18N5+ MolecularWeight: 244.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CC=C2)N3CC[NH2+]CC3)C(=N1)N

Isomeric SMILES

CC1=NC2=C(C(=CC=C2)N3CC[NH2+]CC3)C(=N1)N

InChI

InChI=1S/C13H17N5/c1-9-16-10-3-2-4-11(12(10)13(14)17-9)18-7-5-15-6-8-18/h2-4,15H,5-8H2,1H3,(H2,14,16,17)/p+1