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

Systemtic Name: furan-2-ylmethyl-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]-(2-furylmethyl)-methyl-ammonium CAS Name: 2-furanylmethyl-methyl-[(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: furan-2-ylmethyl-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]-(2-furfuryl)-methyl-ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCSCC4

Isomeric SMILES

C[NH+](CC1=CC=CO1)[C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCSCC4

InChI

InChI=1S/C21H28N4O2S/c1-3-8-25-19-7-6-16(23(2)15-17-5-4-11-27-17)14-18(19)20(22-25)21(26)24-9-12-28-13-10-24/h3-5,11,16H,1,6-10,12-15H2,2H3/p+1/t16-/m0/s1