4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-(1-piperidyl)-1,3,5-triazin-2-amine CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-6-(1-piperidinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Traditional Name: [4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-piperidino-s-triazin-2-yl]amine Formula: C26H34N7+ MolecularWeight: 444.59506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C26H33N7/c27-25-28-23(29-26(30-25)33-14-8-3-9-15-33)20-31-16-18-32(19-17-31)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,24H,3,8-9,14-20H2,(H2,27,28,29,30)/p+1