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

Systemtic Name: 5-phenyl-N-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]-1,2,4-triazin-3-amine Openeye Name: 5-phenyl-N-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]-1,2,4-triazin-3-amine CAS Name: 5-phenyl-N-[2-[(3R)-3-phenyl-1-piperidin-1-iumyl]ethyl]-1,2,4-triazin-3-amine IUPAC Name: 5-phenyl-N-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]-1,2,4-triazin-3-amine Traditional Name: 2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl-(5-phenyl-1,2,4-triazin-3-yl)amine Formula: C22H26N5+ MolecularWeight: 360.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCNC2=NC(=CN=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCNC2=NC(=CN=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5/c1-3-8-18(9-4-1)20-12-7-14-27(17-20)15-13-23-22-25-21(16-24-26-22)19-10-5-2-6-11-19/h1-6,8-11,16,20H,7,12-15,17H2,(H,23,25,26)/p+1/t20-/m0/s1