2-(3-methyl-4-nitro-phenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3-methyl-4-nitro-phenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-(3-methyl-4-nitro-phenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-(3-methyl-4-nitrophenyl)-5-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-(3-methyl-4-nitrophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-(3-methyl-4-nitro-phenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Formula: C15H19N4O3+ MolecularWeight: 303.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(O2)C[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(O2)C[NH+]3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3/c1-11-9-12(5-6-13(11)19(20)21)15-17-16-14(22-15)10-18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3/p+1