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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-cyanoanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-cyanoanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(3-cyanoanilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-21(10-14-5-6-16-17(8-14)24-12-23-16)11-18(22)20-15-4-2-3-13(7-15)9-19/h2-8H,10-12H2,1H3,(H,20,22)/p+1