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

Systemtic Name: cycloheptyl-[(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]-cycloheptyl-ammonium CAS Name: cycloheptyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cycloheptyl-[(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]-cycloheptyl-ammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H34N4OS/c1-2-11-26-20-10-9-18(23-17-7-5-3-4-6-8-17)16-19(20)21(24-26)22(27)25-12-14-28-15-13-25/h2,17-18,23H,1,3-16H2/p+1/t18-/m1/s1