7,8-dimethoxy-4-piperazin-4-ium-1-yl-5H-pyrimido[5,4-b]indole

Systemtic Name: 7,8-dimethoxy-4-piperazin-4-ium-1-yl-5H-pyrimido[5,4-b]indole Openeye Name: 7,8-dimethoxy-4-piperazin-4-ium-1-yl-5H-pyrimido[5,4-b]indole CAS Name: 7,8-dimethoxy-4-(1-piperazin-4-iumyl)-5H-pyrimido[5,4-b]indole IUPAC Name: 7,8-dimethoxy-4-piperazin-4-ium-1-yl-5H-pyrimido[5,4-b]indole Traditional Name: 7,8-dimethoxy-4-piperazin-4-ium-1-yl-5H-pyrimid[5,4-b]indole Formula: C16H20N5O2+ MolecularWeight: 314.3623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CC[NH2+]CC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CC[NH2+]CC4)OC

InChI

InChI=1S/C16H19N5O2/c1-22-12-7-10-11(8-13(12)23-2)20-15-14(10)18-9-19-16(15)21-5-3-17-4-6-21/h7-9,17,20H,3-6H2,1-2H3/p+1