[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [2-keto-2-(piperonylamino)ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

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