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

Systemtic Name: 4-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperazin-4-ium-2-one Openeye Name: 4-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperazin-4-ium-2-one CAS Name: 4-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperazin-4-ium-2-one Traditional Name: 4-[(1S)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]piperazin-4-ium-2-one Formula: C15H20N7O+ MolecularWeight: 314.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H19N7O/c1-10(22-8-7-17-12(23)9-22)13-19-14(16)21-15(20-13)18-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,23)(H3,16,18,19,20,21)/p+1/t10-/m0/s1