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

Systemtic Name: 2-(3-methoxyphenyl)ethyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-(3-methoxyphenyl)ethyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-(3-methoxyphenyl)ethyl-[(5S)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-(3-methoxyphenyl)ethyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-(3-methoxyphenyl)ethyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CCC3=CC(=CC=C3)OC)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH2+]CCC3=CC(=CC=C3)OC)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H30N4O2S/c1-25-20-7-6-17(23-9-8-16-4-3-5-18(14-16)28-2)15-19(20)21(24-25)22(27)26-10-12-29-13-11-26/h3-5,14,17,23H,6-13,15H2,1-2H3/p+1/t17-/m0/s1