2-[4-[(5S)-5,6-diphenyl-4,5-dihydro-2H-1,2,4-triazin-3-ylidene]piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[(5S)-5,6-diphenyl-4,5-dihydro-2H-1,2,4-triazin-3-ylidene]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[(5S)-5,6-diphenyl-4,5-dihydro-2H-1,2,4-triazin-3-ylidene]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[(5S)-5,6-diphenyl-4,5-dihydro-2H-1,2,4-triazin-3-ylidene]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[(5S)-5,6-diphenyl-4,5-dihydro-2H-1,2,4-triazin-3-ylidene]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[(5S)-5,6-diphenyl-4,5-dihydro-2H-1,2,4-triazin-3-ylidene]piperazin-4-ium-1-yl]ethylammonium Formula: C21H28N6+2 MolecularWeight: 364.48722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C2NC(C(=NN2)C3=CC=CC=C3)C4=CC=CC=C4)CCN1CC[NH3+]

Isomeric SMILES

C1C[N+](=C2N[C@H](C(=NN2)C3=CC=CC=C3)C4=CC=CC=C4)CCN1CC[NH3+]

InChI

InChI=1S/C21H26N6/c22-11-12-26-13-15-27(16-14-26)21-23-19(17-7-3-1-4-8-17)20(24-25-21)18-9-5-2-6-10-18/h1-10,19H,11-16,22H2,(H,23,25)/p+2/t19-/m0/s1