3-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-indole chloride

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-indole chloride Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-indole chloride CAS Name: 3-(1-azepan-1-iumylmethyl)-6-nitro-1H-indole chloride IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-indole chloride Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-indole chloride Formula: C15H20ClN3O2 MolecularWeight: 309.7912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CNC3=C2C=CC(=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CNC3=C2C=CC(=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C15H19N3O2.ClH/c19-18(20)13-5-6-14-12(10-16-15(14)9-13)11-17-7-3-1-2-4-8-17;/h5-6,9-10,16H,1-4,7-8,11H2;1H