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

Systemtic Name: methyl-(2-methylpropyl)-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: isobutyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: methyl-[(5S)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-(2-methylpropyl)ammonium IUPAC Name: methyl-(2-methylpropyl)-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: isobutyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](C)C1CCC2=C(C1)C(=NN2C)C(=O)N3CCSCC3

Isomeric SMILES

CC(C)C[NH+](C)[C@H]1CCC2=C(C1)C(=NN2C)C(=O)N3CCSCC3

InChI

InChI=1S/C18H30N4OS/c1-13(2)12-20(3)14-5-6-16-15(11-14)17(19-21(16)4)18(23)22-7-9-24-10-8-22/h13-14H,5-12H2,1-4H3/p+1/t14-/m0/s1