(5S)-5-(azocan-1-ium-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5S)-5-(azocan-1-ium-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-5-(azocan-1-ium-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-5-(1-azocan-1-iumyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-5-(azocan-1-ium-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-5-(azocan-1-ium-1-yl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCCCCCC3)C

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCCCCCC3)C

InChI

InChI=1S/C17H28N4O/c1-18-17(22)16-14-12-13(8-9-15(14)20(2)19-16)21-10-6-4-3-5-7-11-21/h13H,3-12H2,1-2H3,(H,18,22)/p+1/t13-/m0/s1