2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxy-2,5-dimethylphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methoxy-2,5-dimethylphenyl)methyl]azanium Traditional Name: homopiperonyl-(4-methoxy-2,5-dimethyl-benzyl)ammonium Formula: C19H24NO3+ MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH2+]CCC2=CC3=C(C=C2)OCO3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH2+]CCC2=CC3=C(C=C2)OCO3)C)OC

InChI

InChI=1S/C19H23NO3/c1-13-9-18(21-3)14(2)8-16(13)11-20-7-6-15-4-5-17-19(10-15)23-12-22-17/h4-5,8-10,20H,6-7,11-12H2,1-3H3/p+1