1,3-benzodioxol-5-ylmethyl-[(1-tert-butylpyrrol-3-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1-tert-butylpyrrol-3-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1-tert-butylpyrrol-3-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1-tert-butyl-3-pyrrolyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1-tert-butylpyrrol-3-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (1-tert-butylpyrrol-3-yl)methyl-piperonyl-(4-pyridylmethyl)ammonium Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC(=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)N1C=CC(=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O2/c1-23(2,3)26-11-8-20(16-26)15-25(13-18-6-9-24-10-7-18)14-19-4-5-21-22(12-19)28-17-27-21/h4-12,16H,13-15,17H2,1-3H3/p+1