8-methoxy-5-methyl-3-(2-pyrrolidin-1-ium-1-ylethyl)pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-methoxy-5-methyl-3-(2-pyrrolidin-1-ium-1-ylethyl)pyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-5-methyl-3-(2-pyrrolidin-1-ium-1-ylethyl)pyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-5-methyl-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-pyrimido[5,4-b]indolone IUPAC Name: 8-methoxy-5-methyl-3-(2-pyrrolidin-1-ium-1-ylethyl)pyrimido[5,4-b]indol-4-one Traditional Name: 8-methoxy-5-methyl-3-(2-pyrrolidin-1-ium-1-ylethyl)pyrimid[5,4-b]indol-4-one Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CC[NH+]4CCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CC[NH+]4CCCC4

InChI

InChI=1S/C18H22N4O2/c1-20-15-6-5-13(24-2)11-14(15)16-17(20)18(23)22(12-19-16)10-9-21-7-3-4-8-21/h5-6,11-12H,3-4,7-10H2,1-2H3/p+1