1-cyclohexyl-2-(5-cyclohexyl-3-oxidanidyl-2,3-dihydro-1,3,4-benzotriazepin-3-ium-1-yl)ethanone

Systemtic Name: 1-cyclohexyl-2-(5-cyclohexyl-3-oxidanidyl-2,3-dihydro-1,3,4-benzotriazepin-3-ium-1-yl)ethanone Openeye Name: 1-cyclohexyl-2-(5-cyclohexyl-3-oxido-2,3-dihydro-1,3,4-benzotriazepin-3-ium-1-yl)ethanone CAS Name: 1-cyclohexyl-2-(5-cyclohexyl-3-oxido-2,3-dihydro-1,3,4-benzotriazepin-3-ium-1-yl)ethanone IUPAC Name: 1-cyclohexyl-2-(5-cyclohexyl-3-oxido-2,3-dihydro-1,3,4-benzotriazepin-3-ium-1-yl)ethanone Traditional Name: 1-cyclohexyl-2-(5-cyclohexyl-3-oxido-2,3-dihydro-1,3,4-benzotriazepin-3-ium-1-yl)ethanone Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=N[NH+](CN(C3=CC=CC=C32)CC(=O)C4CCCCC4)[O-]

Isomeric SMILES

C1CCC(CC1)C2=N[NH+](CN(C3=CC=CC=C32)CC(=O)C4CCCCC4)[O-]

InChI

InChI=1S/C22H31N3O2/c26-21(17-9-3-1-4-10-17)15-24-16-25(27)23-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)24/h7-8,13-14,17-18,25H,1-6,9-12,15-16H2