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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[2-keto-2-(piperonylamino)ethyl]-p-anisyl-ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)NCC2=CC3=C(C=C2)OCO3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)NCC2=CC3=C(C=C2)OCO3)C4CC4

InChI

InChI=1S/C21H24N2O4/c1-25-18-7-2-15(3-8-18)12-23(17-5-6-17)13-21(24)22-11-16-4-9-19-20(10-16)27-14-26-19/h2-4,7-10,17H,5-6,11-14H2,1H3,(H,22,24)/p+1