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

Systemtic Name: methyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-thienylmethyl)ammonium CAS Name: methyl-[(5S)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(thiophen-3-ylmethyl)azanium Traditional Name: methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-thenyl)ammonium Formula: C19H27N4OS2+ MolecularWeight: 391.57388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4OS2/c1-21(12-14-5-8-26-13-14)15-3-4-17-16(11-15)18(20-22(17)2)19(24)23-6-9-25-10-7-23/h5,8,13,15H,3-4,6-7,9-12H2,1-2H3/p+1/t15-/m0/s1