7,8-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 7,8-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 7,8-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 7,8-dimethoxy-3-[2-(1-piperazin-4-iumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 7,8-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 7,8-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CCN4CC[NH2+]CC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CCN4CC[NH2+]CC4)OC

InChI

InChI=1S/C18H23N5O3/c1-25-14-9-12-13(10-15(14)26-2)21-17-16(12)20-11-23(18(17)24)8-7-22-5-3-19-4-6-22/h9-11,19,21H,3-8H2,1-2H3/p+1