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

Systemtic Name: 2-(9-chloranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)ethyl-di(propan-2-yl)azanium Openeye Name: 2-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl-diisopropyl-ammonium CAS Name: 2-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-(9-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl-di(propan-2-yl)azanium Traditional Name: 2-(9-chloro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)ethyl-diisopropyl-ammonium Formula: C18H24ClN4O+ MolecularWeight: 347.86236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O/c1-11(2)23(12(3)4)9-8-22-10-20-16-15-13(19)6-5-7-14(15)21-17(16)18(22)24/h5-7,10-12,21H,8-9H2,1-4H3/p+1