N-(phenylmethyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine

Systemtic Name: N-(phenylmethyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-3-ium-4-amine Openeye Name: N-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine CAS Name: N-(phenylmethyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-quinazolin-3-iumamine IUPAC Name: N-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine Traditional Name: benzyl-[2-(4-benzylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]amine Formula: C26H29N5+2 MolecularWeight: 411.54196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=[NH+]3)NCC5=CC=CC=C5

InChI

InChI=1S/C26H27N5/c1-3-9-21(10-4-1)19-27-25-23-13-7-8-14-24(23)28-26(29-25)31-17-15-30(16-18-31)20-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,27,28,29)/p+2