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

Systemtic Name: 8-bromanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-bromo-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-bromo-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-bromo-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-bromo-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C16H18BrN4O+ MolecularWeight: 362.24432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br

Isomeric SMILES

C1CC[NH+](C1)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C16H17BrN4O/c17-11-3-4-13-12(9-11)14-15(19-13)16(22)21(10-18-14)8-7-20-5-1-2-6-20/h3-4,9-10,19H,1-2,5-8H2/p+1