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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-cyanoanilino)-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-cyanoanilino)-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-cyanoanilino)-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-(3-cyanoanilino)-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H23N3O3/c23-12-16-4-3-5-18(10-16)24-22(26)14-25(19-6-1-2-7-19)13-17-8-9-20-21(11-17)28-15-27-20/h3-5,8-11,19H,1-2,6-7,13-15H2,(H,24,26)/p+1