7-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 7-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 7-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 7-methoxy-3-[2-(1-piperazine-1,4-diiumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 7-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 7-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C17H23N5O2+2 MolecularWeight: 329.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CC[NH+]4CC[NH2+]CC4

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CC[NH+]4CC[NH2+]CC4

InChI

InChI=1S/C17H21N5O2/c1-24-12-2-3-13-14(10-12)20-16-15(13)19-11-22(17(16)23)9-8-21-6-4-18-5-7-21/h2-3,10-11,18,20H,4-9H2,1H3/p+2