N2-phenyl-6-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-benzylpiperidin-1-ium-1-yl)methyl]-s-triazin-2-yl]-phenyl-amine Formula: C22H27N6+ MolecularWeight: 375.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H26N6/c23-21-25-20(26-22(27-21)24-19-9-5-2-6-10-19)16-28-13-11-18(12-14-28)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2,(H3,23,24,25,26,27)/p+1