2-[7-methoxy-1-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyethyl-tri(methyl)azanium iodide

Systemtic Name: 2-[7-methoxy-1-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyethyl-tri(methyl)azanium iodide Openeye Name: 2-[[7-methoxy-1-[2-(propanoylamino)ethyl]-2-naphthyl]oxy]ethyl-tri(methyl)ammonium iodide CAS Name: 2-[[7-methoxy-1-[2-(1-oxopropylamino)ethyl]-2-naphthalenyl]oxy]ethyl-tri(methyl)ammonium iodide IUPAC Name: 2-[7-methoxy-1-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyethyl-tri(methyl)azanium iodide Traditional Name: 2-[7-methoxy-1-(2-propionamidoethyl)-2-naphthoxy]ethyl-tri(methyl)ammonium iodide Formula: C21H31IN2O3 MolecularWeight: 488.379452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCC1=C(C=CC2=C1C=C(C=C2)OC)OCC[N+](C)(C)C.[I-]

Isomeric SMILES

CCC(=O)NCCC1=C(C=CC2=C1C=C(C=C2)OC)OCC[N+](C)(C)[14CH3].[I-]

InChI

InChI=1S/C21H30N2O3.HI/c1-6-21(24)22-12-11-18-19-15-17(25-5)9-7-16(19)8-10-20(18)26-14-13-23(2,3)4;/h7-10,15H,6,11-14H2,1-5H3;1H/i2+2;