3-[1,3-benzodioxol-5-ylmethyl(cyclohexylcarbamoyl)amino]propyl-trimethyl-azanium iodide

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclohexylcarbamoyl)amino]propyl-trimethyl-azanium iodide Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclohexylcarbamoyl)amino]propyl-trimethyl-ammonium iodide CAS Name: 3-[1,3-benzodioxol-5-ylmethyl-[(cyclohexylamino)-oxomethyl]amino]propyl-trimethylammonium iodide IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclohexylcarbamoyl)amino]propyl-trimethylazanium iodide Traditional Name: 3-[cyclohexylcarbamoyl(piperonyl)amino]propyl-trimethyl-ammonium iodide Formula: C21H34IN3O3 MolecularWeight: 503.41743

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3CCCCC3.[I-]

Isomeric SMILES

C[N+](C)(C)CCCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3CCCCC3.[I-]

InChI

InChI=1S/C21H33N3O3.HI/c1-24(2,3)13-7-12-23(21(25)22-18-8-5-4-6-9-18)15-17-10-11-19-20(14-17)27-16-26-19;/h10-11,14,18H,4-9,12-13,15-16H2,1-3H3;1H