11-oxidanidyl-6-prop-2-ynyl-2,3,4,4a,12,12a-hexahydro-1H-benzimidazolo[2,1-b]quinazolin-11-ium

Systemtic Name: 11-oxidanidyl-6-prop-2-ynyl-2,3,4,4a,12,12a-hexahydro-1H-benzimidazolo[2,1-b]quinazolin-11-ium Openeye Name: 11-oxido-6-prop-2-ynyl-2,3,4,4a,12,12a-hexahydro-1H-benzimidazolo[2,1-b]quinazolin-11-ium CAS Name: 11-oxido-6-prop-2-ynyl-2,3,4,4a,12,12a-hexahydro-1H-benzimidazolo[2,1-b]quinazolin-11-ium IUPAC Name: 11-oxido-6-prop-2-ynyl-2,3,4,4a,12,12a-hexahydro-1H-benzimidazolo[2,1-b]quinazolin-11-ium Traditional Name: 11-oxido-6-propargyl-2,3,4,4a,12,12a-hexahydro-1H-benzimidazolo[2,1-b]quinazolin-11-ium Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=CC=CC=C2[N+]3(C1=NC4CCCCC4C3)[O-]

Isomeric SMILES

C#CCN1C2=CC=CC=C2[N+]3(C1=NC4CCCCC4C3)[O-]

InChI

InChI=1S/C17H19N3O/c1-2-11-19-15-9-5-6-10-16(15)20(21)12-13-7-3-4-8-14(13)18-17(19)20/h1,5-6,9-10,13-14H,3-4,7-8,11-12H2