cyclohexyl-[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cyclohexyl-[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclohexyl-ammonium CAS Name: cyclohexyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclohexyl-[(5R)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclohexyl-ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C21H32N4OS/c1-2-10-25-19-9-8-17(22-16-6-4-3-5-7-16)15-18(19)20(23-25)21(26)24-11-13-27-14-12-24/h2,16-17,22H,1,3-15H2/p+1/t17-/m1/s1