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

Systemtic Name: 2-propan-2-yloxyethyl-[(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]-(2-isopropoxyethyl)ammonium CAS Name: [(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(2-propan-2-yloxyethyl)ammonium IUPAC Name: 2-propan-2-yloxyethyl-[(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]-(2-isopropoxyethyl)ammonium Formula: C20H33N4O2S+ MolecularWeight: 393.56662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC[NH2+]C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

Isomeric SMILES

CC(C)OCC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

InChI

InChI=1S/C20H32N4O2S/c1-4-8-24-18-6-5-16(21-7-11-26-15(2)3)14-17(18)19(22-24)20(25)23-9-12-27-13-10-23/h4,15-16,21H,1,5-14H2,2-3H3/p+1/t16-/m0/s1