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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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