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

Systemtic Name: 7,8-dimethoxy-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 7,8-dimethoxy-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 7,8-dimethoxy-3-[2-(1-piperidin-1-iumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 7,8-dimethoxy-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 7,8-dimethoxy-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC[NH+]4CCCCC4)OC

InChI

InChI=1S/C19H24N4O3/c1-25-15-10-13-14(11-16(15)26-2)21-18-17(13)20-12-23(19(18)24)9-8-22-6-4-3-5-7-22/h10-12,21H,3-9H2,1-2H3/p+1