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

Systemtic Name: 1-adamantyl-[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1-adamantyl-[(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1-adamantyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1-adamantyl-[(5R)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1-adamantyl-[(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C25H37N4OS+ MolecularWeight: 441.65248

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]C34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CCSCC6

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]C34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CCSCC6

InChI

InChI=1S/C25H36N4OS/c1-2-5-29-22-4-3-20(26-25-14-17-10-18(15-25)12-19(11-17)16-25)13-21(22)23(27-29)24(30)28-6-8-31-9-7-28/h2,17-20,26H,1,3-16H2/p+1/t17?,18?,19?,20-,25?/m1/s1