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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-1-ethyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-1-ethyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-1-ethyl-3-[oxo(1-pyrrolidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(5R)-1-ethyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-1-ethyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-piperonyl-ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]CC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCCC5

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCCC5

InChI

InChI=1S/C22H28N4O3/c1-2-26-18-7-6-16(23-13-15-5-8-19-20(11-15)29-14-28-19)12-17(18)21(24-26)22(27)25-9-3-4-10-25/h5,8,11,16,23H,2-4,6-7,9-10,12-14H2,1H3/p+1/t16-/m1/s1