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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methylazanium Traditional Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3/c1-24(12-15-6-7-19-20(10-15)27-14-26-19)13-21(25)22-9-8-16-11-23-18-5-3-2-4-17(16)18/h2-7,10-11,23H,8-9,12-14H2,1H3,(H,22,25)/p+1