1,3-benzodioxol-5-ylmethyl-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C18H17ClN3O3+ MolecularWeight: 358.79888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H16ClN3O3/c1-22(9-12-2-5-16-17(6-12)25-11-24-16)10-18(23)21-14-4-3-13(8-20)15(19)7-14/h2-7H,9-11H2,1H3,(H,21,23)/p+1