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

Systemtic Name: (3-methylphenyl)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]-(m-tolylmethyl)ammonium CAS Name: (3-methylphenyl)methyl-[(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (3-methylphenyl)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]-(3-methylbenzyl)ammonium Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCSCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+][C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCSCC4

InChI

InChI=1S/C23H30N4OS/c1-3-9-27-21-8-7-19(24-16-18-6-4-5-17(2)14-18)15-20(21)22(25-27)23(28)26-10-12-29-13-11-26/h3-6,14,19,24H,1,7-13,15-16H2,2H3/p+1/t19-/m0/s1