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

Systemtic Name: 4-[4-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[(1S)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]piperazin-4-ium-1-yl]phenol Formula: C21H26N7O+ MolecularWeight: 392.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H25N7O/c1-15(27-11-13-28(14-12-27)17-7-9-18(29)10-8-17)19-24-20(22)26-21(25-19)23-16-5-3-2-4-6-16/h2-10,15,29H,11-14H2,1H3,(H3,22,23,24,25,26)/p+1/t15-/m0/s1