1,3-benzodioxol-5-ylmethyl-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-(4-cyanoanilino)-3-oxo-propyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-(4-cyanoanilino)-3-oxopropyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-(4-cyanoanilino)-3-oxopropyl]-methylazanium Traditional Name: [3-(4-cyanoanilino)-3-keto-propyl]-methyl-piperonyl-ammonium Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=C(C=C1)C#N)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=C(C=C1)C#N)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19N3O3/c1-22(12-15-4-7-17-18(10-15)25-13-24-17)9-8-19(23)21-16-5-2-14(11-20)3-6-16/h2-7,10H,8-9,12-13H2,1H3,(H,21,23)/p+1