[3-(aminocarbonylamino)-3-oxidanylidene-propyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentyl-azanium

Systemtic Name: [3-(aminocarbonylamino)-3-oxidanylidene-propyl]-(1,3-benzodioxol-5-ylmethyl)-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-(3-oxo-3-ureido-propyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-(carbamoylamino)-3-oxopropyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-(carbamoylamino)-3-oxopropyl]-cyclopentylazanium Traditional Name: cyclopentyl-(3-keto-3-ureido-propyl)-piperonyl-ammonium Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CCC(=O)NC(=O)N)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(C1)[NH+](CCC(=O)NC(=O)N)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N3O4/c18-17(22)19-16(21)7-8-20(13-3-1-2-4-13)10-12-5-6-14-15(9-12)24-11-23-14/h5-6,9,13H,1-4,7-8,10-11H2,(H3,18,19,21,22)/p+1