1,3-benzodioxol-5-ylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-ethylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-ethylazanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-ethyl-piperonyl-ammonium Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C17H17N3O3S/c1-2-20(9-12-3-4-14-15(7-12)23-11-22-14)10-16(21)19-17-13(8-18)5-6-24-17/h3-7H,2,9-11H2,1H3,(H,19,21)/p+1