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

Systemtic Name: (4-phenyloxan-4-yl)methyl-[(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]-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium CAS Name: [(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenyl-4-oxanyl)methyl]ammonium IUPAC Name: (4-phenyloxan-4-yl)methyl-[(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]-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium Formula: C27H37N4O2S+ MolecularWeight: 481.67328

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C27H36N4O2S/c1-2-12-31-24-9-8-22(19-23(24)25(29-31)26(32)30-13-17-34-18-14-30)28-20-27(10-15-33-16-11-27)21-6-4-3-5-7-21/h2-7,22,28H,1,8-20H2/p+1/t22-/m1/s1