5-nitro-3-oxidanyl-2-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-imine

Systemtic Name: 5-nitro-3-oxidanyl-2-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-imine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-hydroxy-5-nitro-2-phenyl-triazol-4-imine CAS Name: 3-hydroxy-5-nitro-2-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-triazolimine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-hydroxy-5-nitro-2-phenyltriazol-4-imine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(3-hydroxy-5-nitro-2-phenyl-triazol-4-ylidene)amine Formula: C20H23N6O3+ MolecularWeight: 395.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O3/c27-25-19(20(26(28)29)22-24(25)18-9-5-2-6-10-18)21-17-11-13-23(14-12-17)15-16-7-3-1-4-8-16/h1-10,17,27H,11-15H2/p+1