2,3-dihydro-1H-inden-2-yl-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: indan-2-yl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[(5R)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: indan-2-yl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]C3CC4=CC=CC=C4C3)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]C3CC4=CC=CC=C4C3)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C22H28N4OS/c1-25-20-7-6-17(23-18-12-15-4-2-3-5-16(15)13-18)14-19(20)21(24-25)22(27)26-8-10-28-11-9-26/h2-5,17-18,23H,6-14H2,1H3/p+1/t17-/m1/s1