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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-[4-(methylcarbamoyl)anilino]ethyl]-piperonyl-ammonium Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-24-23(28)17-7-9-18(10-8-17)25-22(27)14-26(19-4-2-3-5-19)13-16-6-11-20-21(12-16)30-15-29-20/h6-12,19H,2-5,13-15H2,1H3,(H,24,28)(H,25,27)/p+1