2-[(2S)-1-methyl-4-[(1-methylbenzotriazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[(1-methylbenzotriazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(1-methylbenzotriazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[(1-methyl-5-benzotriazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(1-methylbenzotriazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[(1-methylbenzotriazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C15H24N5O+ MolecularWeight: 290.38396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC3=C(C=C2)N(N=N3)C

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC3=C(C=C2)N(N=N3)C

InChI

InChI=1S/C15H23N5O/c1-18-6-7-20(11-13(18)5-8-21)10-12-3-4-15-14(9-12)16-17-19(15)2/h3-4,9,13,21H,5-8,10-11H2,1-2H3/p+1/t13-/m0/s1