[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-azanium

Systemtic Name: [(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-azanium Openeye Name: [(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium CAS Name: [(5R)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-phenethylammonium IUPAC Name: [(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethylazanium Traditional Name: [(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C21H28N4OS/c1-24-19-8-7-17(22-10-9-16-5-3-2-4-6-16)15-18(19)20(23-24)21(26)25-11-13-27-14-12-25/h2-6,17,22H,7-15H2,1H3/p+1/t17-/m1/s1