1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-propan-2-ylphenoxy)ethanone

Systemtic Name: 1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Openeye Name: 1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-2-(4-isopropylphenoxy)ethanone CAS Name: 1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-2-(4-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Traditional Name: 1-[4-(2-furfuryl)piperazin-4-ium-1-yl]-2-(4-isopropylphenoxy)ethanone Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C20H26N2O3/c1-16(2)17-5-7-18(8-6-17)25-15-20(23)22-11-9-21(10-12-22)14-19-4-3-13-24-19/h3-8,13,16H,9-12,14-15H2,1-2H3/p+1