4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-methoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-8-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-methoxy-5H-pyrimid[5,4-b]indole Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C21H27N5O/c1-27-16-7-8-18-17(13-16)19-20(24-18)21(23-14-22-19)26-11-9-25(10-12-26)15-5-3-2-4-6-15/h7-8,13-15,24H,2-6,9-12H2,1H3/p+1