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

Systemtic Name: diethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: diethyl-[(5S)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: diethyl-[(5S)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: diethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: diethyl-[(5S)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCC2=C(C1)C(=NN2C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC)[C@H]1CCC2=C(C1)C(=NN2C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H26N4OS/c1-4-22(5-2)13-8-9-16-15(11-13)17(20-21(16)3)18(23)19-12-14-7-6-10-24-14/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H,19,23)/p+1/t13-/m0/s1