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

Systemtic Name: [(5R)-3-morpholin-4-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(5R)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(5R)-3-[4-morpholinyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(5R)-3-(morpholine-4-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(5R)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[2-(2-thienyl)ethyl]ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CCC3=CC=CS3)C(=N1)C(=O)N4CCOCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CCC3=CC=CS3)C(=N1)C(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O2S/c1-2-9-25-19-6-5-16(22-8-7-17-4-3-14-28-17)15-18(19)20(23-25)21(26)24-10-12-27-13-11-24/h2-4,14,16,22H,1,5-13,15H2/p+1/t16-/m1/s1