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

Systemtic Name: 8-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[2-(1-piperazine-1,4-diiumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-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=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC[NH+]4CC[NH2+]CC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC[NH+]4CC[NH2+]CC4

InChI

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