[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NCC2=CC3=C(C=C2)OCO3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NCC2=CC3=C(C=C2)OCO3)OC)OC

InChI

InChI=1S/C21H26N2O5/c1-14-7-18(25-3)19(26-4)9-16(14)11-23(2)12-21(24)22-10-15-5-6-17-20(8-15)28-13-27-17/h5-9H,10-13H2,1-4H3,(H,22,24)/p+1