(5R)-5-(azocan-1-ium-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5R)-5-(azocan-1-ium-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5R)-5-(azocan-1-ium-1-yl)-1-methyl-N-(2-thienylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5R)-5-(1-azocan-1-iumyl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5R)-5-(azocan-1-ium-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5R)-5-(azocan-1-ium-1-yl)-1-methyl-N-(2-thenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+]3CCCCCCC3)C(=N1)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH+]3CCCCCCC3)C(=N1)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H30N4OS/c1-24-19-10-9-16(25-11-5-3-2-4-6-12-25)14-18(19)20(23-24)21(26)22-15-17-8-7-13-27-17/h7-8,13,16H,2-6,9-12,14-15H2,1H3,(H,22,26)/p+1/t16-/m1/s1