[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: ethyl-[2-keto-2-(piperonylamino)ethyl]-(2-thenyl)ammonium Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H20N2O3S/c1-2-19(10-14-4-3-7-23-14)11-17(20)18-9-13-5-6-15-16(8-13)22-12-21-15/h3-8H,2,9-12H2,1H3,(H,18,20)/p+1