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

Systemtic Name: (5R)-5-(azepan-1-ium-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5R)-5-(azepan-1-ium-1-yl)-1-methyl-N-(2-thienylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5R)-5-(1-azepan-1-iumyl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5R)-5-(azepan-1-ium-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5R)-5-(azepan-1-ium-1-yl)-1-methyl-N-(2-thenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+]3CCCCCC3)C(=N1)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH+]3CCCCCC3)C(=N1)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H28N4OS/c1-23-18-9-8-15(24-10-4-2-3-5-11-24)13-17(18)19(22-23)20(25)21-14-16-7-6-12-26-16/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,21,25)/p+1/t15-/m1/s1