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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2,3-dimethylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2,3-dimethylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2,3-dimethylanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(2,3-dimethylanilino)-2-keto-ethyl]-piperonyl-ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-16-6-5-9-20(17(16)2)24-23(26)14-25(19-7-3-4-8-19)13-18-10-11-21-22(12-18)28-15-27-21/h5-6,9-12,19H,3-4,7-8,13-15H2,1-2H3,(H,24,26)/p+1