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

Systemtic Name: (3-methoxyphenyl)methyl-methyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: (3-methoxyphenyl)methyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: (3-methoxyphenyl)methyl-methyl-[(5S)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (3-methoxyphenyl)methyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: m-anisyl-methyl-[(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)[NH+](C)CC3=CC(=CC=C3)OC)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)CC3=CC(=CC=C3)OC)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H30N4O2S/c1-24(15-16-5-4-6-18(13-16)28-3)17-7-8-20-19(14-17)21(23-25(20)2)22(27)26-9-11-29-12-10-26/h4-6,13,17H,7-12,14-15H2,1-3H3/p+1/t17-/m0/s1