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

Systemtic Name: (4-methoxyphenyl)methyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: (4-methoxyphenyl)methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(5S)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-p-anisyl-ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3=CC=C(C=C3)OC)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH2+]CC3=CC=C(C=C3)OC)C(=N1)C(=O)N4CCSCC4

InChI

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