1,3-benzodioxol-5-ylmethyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: piperonyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]CC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C23H30N4O3S/c1-2-7-27-19-5-4-17(24-14-16-3-6-20-21(12-16)30-15-29-20)13-18(19)22(25-27)23(28)26-8-10-31-11-9-26/h3,6,12,17,24H,2,4-5,7-11,13-15H2,1H3/p+1/t17-/m1/s1