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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C16H16N3O3S+ MolecularWeight: 330.38154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-19(8-11-2-3-13-14(6-11)22-10-21-13)9-15(20)18-16-12(7-17)4-5-23-16/h2-6H,8-10H2,1H3,(H,18,20)/p+1