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

Systemtic Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(1-pyrrolidin-1-iumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C16H19N4O+ MolecularWeight: 283.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C=NC3=C(C2=O)NC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CCN2C=NC3=C(C2=O)NC4=CC=CC=C43

InChI

InChI=1S/C16H18N4O/c21-16-15-14(12-5-1-2-6-13(12)18-15)17-11-20(16)10-9-19-7-3-4-8-19/h1-2,5-6,11,18H,3-4,7-10H2/p+1