5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2,4-triazin-3-amine Openeye Name: 5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2,4-triazin-3-amine CAS Name: 5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(4-methoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]-1,2,4-triazin-3-amine Traditional Name: [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]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)NCC(C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=NC(=N2)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C23H27N5O/c1-29-20-12-10-18(11-13-20)21-16-25-27-23(26-21)24-17-22(19-8-4-2-5-9-19)28-14-6-3-7-15-28/h2,4-5,8-13,16,22H,3,6-7,14-15,17H2,1H3,(H,24,26,27)/p+1/t22-/m0/s1