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

Systemtic Name: 3-methylsulfanylpropyl-[(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]-(3-methylsulfanylpropyl)ammonium CAS Name: 3-(methylthio)propyl-[(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-methylsulfanylpropyl-[(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]-[3-(methylthio)propyl]ammonium Formula: C19H31N4OS2+ MolecularWeight: 395.60564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4OS2/c1-3-8-23-17-6-5-15(20-7-4-11-25-2)14-16(17)18(21-23)19(24)22-9-12-26-13-10-22/h3,15,20H,1,4-14H2,2H3/p+1/t15-/m0/s1