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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]quinazolin-3-ium-4-amine Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)quinazolin-3-ium-4-amine CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-4-quinazolin-3-iumamine IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)quinazolin-3-ium-4-amine Traditional Name: [2-(4-benzhydrylpiperazino)quinazolin-3-ium-4-yl]amine Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3C(=[NH+]2)N)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3C(=[NH+]2)N)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5/c26-24-21-13-7-8-14-22(21)27-25(28-24)30-17-15-29(16-18-30)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H2,26,27,28)/p+1