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

Systemtic Name: [(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(thiophen-3-ylmethyl)azanium Openeye Name: [(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-thienylmethyl)ammonium CAS Name: [(5R)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-(3-thiophenylmethyl)ammonium IUPAC Name: [(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(thiophen-3-ylmethyl)azanium Traditional Name: [(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-thenyl)ammonium Formula: C18H25N4OS2+ MolecularWeight: 377.5473

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3=CSC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3=CSC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C18H24N4OS2/c1-21-16-3-2-14(19-11-13-4-7-25-12-13)10-15(16)17(20-21)18(23)22-5-8-24-9-6-22/h4,7,12,14,19H,2-3,5-6,8-11H2,1H3/p+1/t14-/m1/s1