cyclopropylmethyl-[(5S)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-propyl-azanium

Systemtic Name: cyclopropylmethyl-[(5S)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-propyl-azanium Openeye Name: cyclopropylmethyl-[(5S)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-propyl-ammonium CAS Name: cyclopropylmethyl-[(5S)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-propylammonium IUPAC Name: cyclopropylmethyl-[(5S)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-propylazanium Traditional Name: cyclopropylmethyl-[(5S)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-propyl-ammonium Formula: C21H35N4OS+ MolecularWeight: 391.5938

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)C2CCC3=C(C2)C(=NN3CC)C(=O)N4CCSCC4

Isomeric SMILES

CCC[NH+](CC1CC1)[C@H]2CCC3=C(C2)C(=NN3CC)C(=O)N4CCSCC4

InChI

InChI=1S/C21H34N4OS/c1-3-9-24(15-16-5-6-16)17-7-8-19-18(14-17)20(22-25(19)4-2)21(26)23-10-12-27-13-11-23/h16-17H,3-15H2,1-2H3/p+1/t17-/m0/s1