(6-methyl-1,3-benzodioxol-5-yl)methyl-[(5-methylfuran-2-yl)methyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5-methylfuran-2-yl)methyl]-(pyridin-2-ylmethyl)azanium Openeye Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5-methyl-2-furyl)methyl]-(2-pyridylmethyl)ammonium CAS Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5-methyl-2-furanyl)methyl]-(2-pyridinylmethyl)ammonium IUPAC Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5-methylfuran-2-yl)methyl]-(pyridin-2-ylmethyl)azanium Traditional Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5-methyl-2-furyl)methyl]-(2-pyridylmethyl)ammonium Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+](CC2=CC=CC=N2)CC3=CC4=C(C=C3C)OCO4

Isomeric SMILES

CC1=CC=C(O1)C[NH+](CC2=CC=CC=N2)CC3=CC4=C(C=C3C)OCO4

InChI

InChI=1S/C21H22N2O3/c1-15-9-20-21(25-14-24-20)10-17(15)11-23(12-18-5-3-4-8-22-18)13-19-7-6-16(2)26-19/h3-10H,11-14H2,1-2H3/p+1