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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-3-morpholin-4-ylcarbonyl-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-3-(morpholine-4-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-3-[4-morpholinyl(oxo)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-3-(morpholine-4-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-3-(morpholine-4-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-piperonyl-ammonium Formula: C23H31N4O4+ MolecularWeight: 427.51664

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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)N5CCOCC5

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCOCC5

InChI

InChI=1S/C23H30N4O4/c1-2-7-27-19-5-4-17(24-14-16-3-6-20-21(12-16)31-15-30-20)13-18(19)22(25-27)23(28)26-8-10-29-11-9-26/h3,6,12,17,24H,2,4-5,7-11,13-15H2,1H3/p+1/t17-/m1/s1