1,3-benzodioxol-5-ylmethyl-[(1-propan-2-ylpyrrol-2-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1-propan-2-ylpyrrol-2-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1-isopropylpyrrol-2-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1-propan-2-yl-2-pyrrolyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1-propan-2-ylpyrrol-2-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (1-isopropylpyrrol-2-yl)methyl-piperonyl-(4-pyridylmethyl)ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC=C1C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)N1C=CC=C1C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O2/c1-17(2)25-11-3-4-20(25)15-24(13-18-7-9-23-10-8-18)14-19-5-6-21-22(12-19)27-16-26-21/h3-12,17H,13-16H2,1-2H3/p+1