1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium Traditional Name: cyclopentyl-(2-keto-2-mesidino-ethyl)-piperonyl-ammonium Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4)C

InChI

InChI=1S/C24H30N2O3/c1-16-10-17(2)24(18(3)11-16)25-23(27)14-26(20-6-4-5-7-20)13-19-8-9-21-22(12-19)29-15-28-21/h8-12,20H,4-7,13-15H2,1-3H3,(H,25,27)/p+1