4-(4-cyclohexylpiperazin-4-ium-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-7-methyl-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-7-methyl-5H-pyrimid[5,4-b]indole Formula: C21H28N5+ MolecularWeight: 350.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C21H27N5/c1-15-7-8-17-18(13-15)24-20-19(17)22-14-23-21(20)26-11-9-25(10-12-26)16-5-3-2-4-6-16/h7-8,13-14,16,24H,2-6,9-12H2,1H3/p+1