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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC[NH+]4CCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC[NH+]4CCCC4

InChI

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