N-methyl-5-phenyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-1,2,4-triazin-3-amine

Systemtic Name: N-methyl-5-phenyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-1,2,4-triazin-3-amine Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N-methyl-5-phenyl-1,2,4-triazin-3-amine CAS Name: N-methyl-5-phenyl-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N-methyl-5-phenyl-1,2,4-triazin-3-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)methyl-methyl-(5-phenyl-1,2,4-triazin-3-yl)amine Formula: C23H28N5+ MolecularWeight: 374.50192

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CC2=CC=CC=C2)C3=NC(=CN=N3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1CC[NH+](CC1)CC2=CC=CC=C2)C3=NC(=CN=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5/c1-27(23-25-22(16-24-26-23)21-10-6-3-7-11-21)17-20-12-14-28(15-13-20)18-19-8-4-2-5-9-19/h2-11,16,20H,12-15,17-18H2,1H3/p+1