1,3-benzodioxol-5-ylmethyl-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O3/c1-13(20(23)16-10-21-17-6-4-3-5-15(16)17)22(2)11-14-7-8-18-19(9-14)25-12-24-18/h3-10,13,21H,11-12H2,1-2H3/p+1/t13-/m1/s1