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

Systemtic Name: 5-(2,4-dimethoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2,4-triazin-3-amine Openeye Name: 5-(2,4-dimethoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2,4-triazin-3-amine CAS Name: 5-(2,4-dimethoxyphenyl)-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(2,4-dimethoxyphenyl)-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]-1,2,4-triazin-3-amine Traditional Name: [5-(2,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]amine Formula: C24H30N5O2+ MolecularWeight: 420.5273

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O2/c1-30-19-11-12-20(23(15-19)31-2)21-16-26-28-24(27-21)25-17-22(18-9-5-3-6-10-18)29-13-7-4-8-14-29/h3,5-6,9-12,15-16,22H,4,7-8,13-14,17H2,1-2H3,(H,25,27,28)/p+1/t22-/m0/s1