[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-pyridin-4-ylpropyl)azanium

Systemtic Name: [(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-pyridin-4-ylpropyl)azanium Openeye Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[3-(4-pyridyl)propyl]ammonium CAS Name: [(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(3-pyridin-4-ylpropyl)ammonium IUPAC Name: [(5R)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-pyridin-4-ylpropyl)azanium Traditional Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[3-(4-pyridyl)propyl]ammonium Formula: C23H32N5OS+ MolecularWeight: 426.59808

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CCCC3=CC=NC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CCCC3=CC=NC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C23H31N5OS/c1-2-12-28-21-6-5-19(25-9-3-4-18-7-10-24-11-8-18)17-20(21)22(26-28)23(29)27-13-15-30-16-14-27/h2,7-8,10-11,19,25H,1,3-6,9,12-17H2/p+1/t19-/m1/s1