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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-carbamoylanilino)-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-carbamoylanilino)-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-carbamoylanilino)-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-(4-carbamoylanilino)-2-keto-ethyl]-cyclopentyl-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)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c23-22(27)16-6-8-17(9-7-16)24-21(26)13-25(18-3-1-2-4-18)12-15-5-10-19-20(11-15)29-14-28-19/h5-11,18H,1-4,12-14H2,(H2,23,27)(H,24,26)/p+1