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

Systemtic Name: 2-[ethyl-[(5S)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(5S)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[ethyl-[(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[ethyl-[(5S)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(5S)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-amino]ethyl-dimethyl-ammonium Formula: C21H36N5OS+ MolecularWeight: 406.60844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+](C)C)C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

Isomeric SMILES

CCN(CC[NH+](C)C)[C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

InChI

InChI=1S/C21H35N5OS/c1-5-9-26-19-8-7-17(24(6-2)11-10-23(3)4)16-18(19)20(22-26)21(27)25-12-14-28-15-13-25/h5,17H,1,6-16H2,2-4H3/p+1/t17-/m0/s1