2-(2,3-dimethylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2,3-dimethylphenoxy)-1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2,3-dimethylphenoxy)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2,3-dimethylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2,3-dimethylphenoxy)-1-[4-(2-furfuryl)piperazin-4-ium-1-yl]ethanone Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

InChI

InChI=1S/C19H24N2O3/c1-15-5-3-7-18(16(15)2)24-14-19(22)21-10-8-20(9-11-21)13-17-6-4-12-23-17/h3-7,12H,8-11,13-14H2,1-2H3/p+1