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

Systemtic Name: 9-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 9-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 9-methoxy-3-[2-(1-piperazine-1,4-diiumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 9-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 9-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C17H23N5O2+2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2)C(=O)N(C=N3)CC[NH+]4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2)C(=O)N(C=N3)CC[NH+]4CC[NH2+]CC4

InChI

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