2-(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethyl-azanium

Systemtic Name: 2-(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethyl-azanium Openeye Name: 2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethyl-ammonium CAS Name: 2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethylammonium IUPAC Name: 2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethylazanium Traditional Name: 2-(8-bromo-4-keto-5H-pyrimid[5,4-b]indol-3-yl)ethyl-diethyl-ammonium Formula: C16H20BrN4O+ MolecularWeight: 364.2602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C=NC2=C(C1=O)NC3=C2C=C(C=C3)Br

Isomeric SMILES

CC[NH+](CC)CCN1C=NC2=C(C1=O)NC3=C2C=C(C=C3)Br

InChI

InChI=1S/C16H19BrN4O/c1-3-20(4-2)7-8-21-10-18-14-12-9-11(17)5-6-13(12)19-15(14)16(21)22/h5-6,9-10,19H,3-4,7-8H2,1-2H3/p+1