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

Systemtic Name: dimethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: dimethyl-[(5S)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: dimethyl-[(5S)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: dimethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: dimethyl-[(5S)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+](C)C)C(=N1)C(=O)NCC3=CC=CS3

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)C)C(=N1)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C16H22N4OS/c1-19(2)11-6-7-14-13(9-11)15(18-20(14)3)16(21)17-10-12-5-4-8-22-12/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,21)/p+1/t11-/m0/s1