2-(9-chloranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethyl-azanium

Systemtic Name: 2-(9-chloranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethyl-azanium Openeye Name: 2-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethyl-ammonium CAS Name: 2-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethylammonium IUPAC Name: 2-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diethylazanium Traditional Name: 2-(9-chloro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)ethyl-diethyl-ammonium Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O/c1-3-20(4-2)8-9-21-10-18-14-13-11(17)6-5-7-12(13)19-15(14)16(21)22/h5-7,10,19H,3-4,8-9H2,1-2H3/p+1