2-[[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methyl]quinazolin-4-yl]amine Formula: C23H25N6+ MolecularWeight: 385.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C23H24N6/c24-23-19-8-1-2-9-20(19)26-21(27-23)16-29-13-11-28(12-14-29)15-18-6-3-5-17-7-4-10-25-22(17)18/h1-10H,11-16H2,(H2,24,26,27)/p+1