6-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methyl-pyrimido[1,2-b]indazol-2-one

Systemtic Name: 6-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methyl-pyrimido[1,2-b]indazol-2-one Openeye Name: 6-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methyl-pyrimido[1,2-b]indazol-2-one CAS Name: 6-[2-(4-cyclohexyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-methyl-2-pyrimido[1,2-b]indazolone IUPAC Name: 6-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one Traditional Name: 6-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-methyl-pyrimid[1,2-b]indazol-2-one Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C23H29N5O2/c1-17-15-21(29)24-23-19-9-5-6-10-20(19)27(28(17)23)16-22(30)26-13-11-25(12-14-26)18-7-3-2-4-8-18/h5-6,9-10,15,18H,2-4,7-8,11-14,16H2,1H3/p+1