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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C1CCC2=C(C1)C(=NN2C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)C[NH2+][C@H]1CCC2=C(C1)C(=NN2C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H26N4OS/c1-12(2)10-19-13-6-7-16-15(9-13)17(21-22(16)3)18(23)20-11-14-5-4-8-24-14/h4-5,8,12-13,19H,6-7,9-11H2,1-3H3,(H,20,23)/p+1/t13-/m0/s1