4-(4-cyclohexylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-5H-pyrimid[5,4-b]indole Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C20H25N5/c1-2-6-15(7-3-1)24-10-12-25(13-11-24)20-19-18(21-14-22-20)16-8-4-5-9-17(16)23-19/h4-5,8-9,14-15,23H,1-3,6-7,10-13H2/p+1