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

Systemtic Name: 2-methylpropyl-[(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]-isobutyl-ammonium CAS Name: 2-methylpropyl-[(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-methylpropyl-[(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]-isobutyl-ammonium Formula: C19H31N4OS+ MolecularWeight: 363.54064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4OS/c1-4-7-23-17-6-5-15(20-13-14(2)3)12-16(17)18(21-23)19(24)22-8-10-25-11-9-22/h4,14-15,20H,1,5-13H2,2-3H3/p+1/t15-/m0/s1