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

Systemtic Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-(4-cyclohexyl-1-piperazin-4-iumyl)-4-oxobutyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)-4-keto-butyl]-1,2,3-benzotriazin-4-one Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H29N5O2/c27-20(25-15-13-24(14-16-25)17-7-2-1-3-8-17)11-6-12-26-21(28)18-9-4-5-10-19(18)22-23-26/h4-5,9-10,17H,1-3,6-8,11-16H2/p+1