4,5-bis(cyclohexylmethyl)-1-oxidanidyl-2-phenyl-1,2,3-triazol-1-ium

Systemtic Name: 4,5-bis(cyclohexylmethyl)-1-oxidanidyl-2-phenyl-1,2,3-triazol-1-ium Openeye Name: 4,5-bis(cyclohexylmethyl)-1-oxido-2-phenyl-triazol-1-ium CAS Name: 4,5-bis(cyclohexylmethyl)-1-oxido-2-phenyltriazol-1-ium IUPAC Name: 4,5-bis(cyclohexylmethyl)-1-oxido-2-phenyltriazol-1-ium Traditional Name: 4,5-bis(cyclohexylmethyl)-1-oxido-2-phenyl-triazol-1-ium Formula: C22H31N3O MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=NN([N+](=C2CC3CCCCC3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CC2=NN([N+](=C2CC3CCCCC3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H31N3O/c26-25-22(17-19-12-6-2-7-13-19)21(16-18-10-4-1-5-11-18)23-24(25)20-14-8-3-9-15-20/h3,8-9,14-15,18-19H,1-2,4-7,10-13,16-17H2