3-(9-chloranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(9-chloranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethyl-azanium Openeye Name: 3-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethyl-ammonium CAS Name: 3-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethylammonium IUPAC Name: 3-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethylazanium Traditional Name: 3-(9-chloro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)propyl-dimethyl-ammonium Formula: C15H18ClN4O+ MolecularWeight: 305.78262

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C=NC2=C(C1=O)NC3=C2C(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCCN1C=NC2=C(C1=O)NC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C15H17ClN4O/c1-19(2)7-4-8-20-9-17-13-12-10(16)5-3-6-11(12)18-14(13)15(20)21/h3,5-6,9,18H,4,7-8H2,1-2H3/p+1