3-[6-(4-cyclohexylpiperazin-4-ium-1-yl)-6-oxidanylidene-hexyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[6-(4-cyclohexylpiperazin-4-ium-1-yl)-6-oxidanylidene-hexyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[6-(4-cyclohexylpiperazin-4-ium-1-yl)-6-oxo-hexyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[6-(4-cyclohexyl-1-piperazin-4-iumyl)-6-oxohexyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[6-(4-cyclohexylpiperazin-4-ium-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[6-(4-cyclohexylpiperazin-4-ium-1-yl)-6-keto-hexyl]-1,2,3-benzotriazin-4-one Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H33N5O2/c29-22(27-17-15-26(16-18-27)19-9-3-1-4-10-19)13-5-2-8-14-28-23(30)20-11-6-7-12-21(20)24-25-28/h6-7,11-12,19H,1-5,8-10,13-18H2/p+1