2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]quinazolin-4-amine

Systemtic Name: 2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]quinazolin-4-amine Openeye Name: 2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]quinazolin-4-amine CAS Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazin-4-iumyl]-4-quinazolinamine IUPAC Name: 2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]quinazolin-4-amine Traditional Name: [2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]quinazolin-4-yl]amine Formula: C20H22N7+ MolecularWeight: 360.43558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C20H21N7/c21-19-14-5-1-2-6-15(14)24-20(25-19)27-11-9-26(10-12-27)13-18-22-16-7-3-4-8-17(16)23-18/h1-8H,9-13H2,(H,22,23)(H2,21,24,25)/p+1