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

Systemtic Name: methyl-phenethyl-[(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]-methyl-phenethyl-ammonium CAS Name: methyl-[(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethylammonium IUPAC Name: methyl-phenethyl-[(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]-methyl-phenethyl-ammonium Formula: C24H33N4OS+ MolecularWeight: 425.61002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCSCC4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCSCC4

InChI

InChI=1S/C24H32N4OS/c1-3-12-28-22-10-9-20(26(2)13-11-19-7-5-4-6-8-19)18-21(22)23(25-28)24(29)27-14-16-30-17-15-27/h3-8,20H,1,9-18H2,2H3/p+1/t20-/m0/s1