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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxidanylidene-2-(phenylcarbamoylamino)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-(phenylcarbamoylamino)ethyl]ammonium CAS Name: [2-[[anilino(oxo)methyl]amino]-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-(phenylcarbamoylamino)ethyl]-piperonyl-ammonium Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c26-21(24-22(27)23-17-6-2-1-3-7-17)14-25(18-8-4-5-9-18)13-16-10-11-19-20(12-16)29-15-28-19/h1-3,6-7,10-12,18H,4-5,8-9,13-15H2,(H2,23,24,26,27)/p+1