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

Systemtic Name: 7-methoxy-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 7-methoxy-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 7-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 7-methoxy-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 7-methoxy-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C17H21N4O2+ MolecularWeight: 313.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CC[NH+]4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CC[NH+]4CCCC4

InChI

InChI=1S/C17H20N4O2/c1-23-12-4-5-13-14(10-12)19-16-15(13)18-11-21(17(16)22)9-8-20-6-2-3-7-20/h4-5,10-11,19H,2-3,6-9H2,1H3/p+1