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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3(CCCCCC3)C#N

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3(CCCCCC3)C#N

InChI

InChI=1S/C19H25N3O3/c1-22(11-15-6-7-16-17(10-15)25-14-24-16)12-18(23)21-19(13-20)8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11-12,14H2,1H3,(H,21,23)/p+1