3-(8-methoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(8-methoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethyl-azanium Openeye Name: 3-(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethyl-ammonium CAS Name: 3-(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethylammonium IUPAC Name: 3-(8-methoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl-dimethylazanium Traditional Name: 3-(4-keto-8-methoxy-5H-pyrimid[5,4-b]indol-3-yl)propyl-dimethyl-ammonium Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c1-19(2)7-4-8-20-10-17-14-12-9-11(22-3)5-6-13(12)18-15(14)16(20)21/h5-6,9-10,18H,4,7-8H2,1-3H3/p+1