3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(1-piperazin-4-iumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCN2C=NC3=C(C2=O)NC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH2+]1)CCN2C=NC3=C(C2=O)NC4=CC=CC=C43

InChI

InChI=1S/C16H19N5O/c22-16-15-14(12-3-1-2-4-13(12)19-15)18-11-21(16)10-9-20-7-5-17-6-8-20/h1-4,11,17,19H,5-10H2/p+1