1,3-benzodioxol-5-ylmethyl-cyclopentyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium Openeye Name: (2-anilino-2-oxo-ethyl)-(1,3-benzodioxol-5-ylmethyl)-cyclopentyl-ammonium CAS Name: (2-anilino-2-oxoethyl)-(1,3-benzodioxol-5-ylmethyl)-cyclopentylammonium IUPAC Name: (2-anilino-2-oxoethyl)-(1,3-benzodioxol-5-ylmethyl)-cyclopentylazanium Traditional Name: (2-anilino-2-keto-ethyl)-cyclopentyl-piperonyl-ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c24-21(22-17-6-2-1-3-7-17)14-23(18-8-4-5-9-18)13-16-10-11-19-20(12-16)26-15-25-19/h1-3,6-7,10-12,18H,4-5,8-9,13-15H2,(H,22,24)/p+1