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

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-ethoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-ethoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-8-ethoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-ethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-ethoxy-5H-pyrimid[5,4-b]indole Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C22H29N5O/c1-2-28-17-8-9-19-18(14-17)20-21(25-19)22(24-15-23-20)27-12-10-26(11-13-27)16-6-4-3-5-7-16/h8-9,14-16,25H,2-7,10-13H2,1H3/p+1