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

Systemtic Name: 5-(4-methoxyphenyl)-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]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine CAS Name: 5-(4-methoxyphenyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)methyl-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amine Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=NC(=N2)NCC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=NC(=N2)NCC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c1-29-21-9-7-20(8-10-21)22-16-25-27-23(26-22)24-15-18-11-13-28(14-12-18)17-19-5-3-2-4-6-19/h2-10,16,18H,11-15,17H2,1H3,(H,24,26,27)/p+1