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

Systemtic Name: butyl-methyl-[(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]-butyl-methyl-ammonium CAS Name: butyl-methyl-[(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: butyl-methyl-[(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]-butyl-methyl-ammonium Formula: C20H33N4OS+ MolecularWeight: 377.56722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4OS/c1-4-6-10-22(3)16-7-8-18-17(15-16)19(21-24(18)9-5-2)20(25)23-11-13-26-14-12-23/h5,16H,2,4,6-15H2,1,3H3/p+1/t16-/m0/s1