N-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]-1,3-benzodioxol-5-amine

Systemtic Name: N-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]-1,3-benzodioxol-5-amine Openeye Name: N-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]-1,3-benzodioxol-5-amine CAS Name: N-[(4-methoxy-3,5-dimethyl-2-pyridin-1-iumyl)methyl]-1,3-benzodioxol-5-amine IUPAC Name: N-[(4-methoxy-3,5-dimethylpyridin-1-ium-2-yl)methyl]-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]amine Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C(=C1OC)C)CNC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C[NH+]=C(C(=C1OC)C)CNC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N2O3/c1-10-7-18-13(11(2)16(10)19-3)8-17-12-4-5-14-15(6-12)21-9-20-14/h4-7,17H,8-9H2,1-3H3/p+1