cyclohexyl-[(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cyclohexyl-[(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclohexyl-[(5R)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclohexyl-[(5R)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclohexyl-[(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclohexyl-[(5R)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H28N4OS/c1-24-18-10-9-15(22-14-6-3-2-4-7-14)12-17(18)19(23-24)20(25)21-13-16-8-5-11-26-16/h5,8,11,14-15,22H,2-4,6-7,9-10,12-13H2,1H3,(H,21,25)/p+1/t15-/m1/s1