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

Systemtic Name: 3-propan-2-yloxypropyl-[(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]-(3-isopropoxypropyl)ammonium CAS Name: [(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: 3-propan-2-yloxypropyl-[(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-isopropoxypropyl)ammonium Formula: C21H35N4O2S+ MolecularWeight: 407.5932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

Isomeric SMILES

CC(C)OCCC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

InChI

InChI=1S/C21H34N4O2S/c1-4-9-25-19-7-6-17(22-8-5-12-27-16(2)3)15-18(19)20(23-25)21(26)24-10-13-28-14-11-24/h4,16-17,22H,1,5-15H2,2-3H3/p+1/t17-/m0/s1