2-[4-[2-(2-propoxyphenoxy)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(2-propoxyphenoxy)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[1-oxo-2-(2-propoxyphenoxy)ethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H31N3O4/c1-2-15-27-18-7-3-4-8-19(18)28-17-21(26)24-13-11-22(12-14-24)16-20(25)23-9-5-6-10-23/h3-4,7-8H,2,5-6,9-17H2,1H3/p+1