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

Systemtic Name: (3-methylphenyl)methyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(m-tolylmethyl)ammonium CAS Name: [(5S)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-[(3-methylphenyl)methyl]ammonium IUPAC Name: (3-methylphenyl)methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: (3-methylbenzyl)-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]C2CCC3=C(C2)C(=NN3C)C(=O)N4CCSCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+][C@H]2CCC3=C(C2)C(=NN3C)C(=O)N4CCSCC4

InChI

InChI=1S/C21H28N4OS/c1-15-4-3-5-16(12-15)14-22-17-6-7-19-18(13-17)20(23-24(19)2)21(26)25-8-10-27-11-9-25/h3-5,12,17,22H,6-11,13-14H2,1-2H3/p+1/t17-/m0/s1