(2S)-2-methyl-1-[2-(3-methylphenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]piperidine

Systemtic Name: (2S)-2-methyl-1-[2-(3-methylphenyl)-5-nitro-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]piperidine Openeye Name: (2S)-2-methyl-1-[2-(m-tolyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]piperidine CAS Name: (2S)-2-methyl-1-[2-(3-methylphenyl)-5-nitro-3-oxido-4-triazol-3-iumyl]piperidine IUPAC Name: (2S)-2-methyl-1-[2-(3-methylphenyl)-5-nitro-3-oxidotriazol-3-ium-4-yl]piperidine Traditional Name: (2S)-2-methyl-1-[2-(m-tolyl)-5-nitro-3-oxido-triazol-3-ium-4-yl]piperidine Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=[N+](N(N=C2[N+](=O)[O-])C3=CC=CC(=C3)C)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C2=[N+](N(N=C2[N+](=O)[O-])C3=CC=CC(=C3)C)[O-]

InChI

InChI=1S/C15H19N5O3/c1-11-6-5-8-13(10-11)18-16-14(20(22)23)15(19(18)21)17-9-4-3-7-12(17)2/h5-6,8,10,12H,3-4,7,9H2,1-2H3/t12-/m0/s1