2-[4-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(1S)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H31N8O+ MolecularWeight: 411.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H30N8O/c1-16(19-24-20(22)26-21(25-19)23-17-7-3-2-4-8-17)28-13-11-27(12-14-28)15-18(30)29-9-5-6-10-29/h2-4,7-8,16H,5-6,9-15H2,1H3,(H3,22,23,24,25,26)/p+1/t16-/m0/s1