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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=C)C)C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

Isomeric SMILES

CC[NH+](CC(=C)C)[C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

InChI

InChI=1S/C21H32N4OS/c1-5-9-25-19-8-7-17(23(6-2)15-16(3)4)14-18(19)20(22-25)21(26)24-10-12-27-13-11-24/h5,17H,1,3,6-15H2,2,4H3/p+1/t17-/m0/s1