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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-cyanoanilino)-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-cyanoanilino)-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-cyanoanilino)-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-(2-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=C4C#N

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C22H23N3O3/c23-12-17-5-1-4-8-19(17)24-22(26)14-25(18-6-2-3-7-18)13-16-9-10-20-21(11-16)28-15-27-20/h1,4-5,8-11,18H,2-3,6-7,13-15H2,(H,24,26)/p+1