2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-(2-furfuryl)piperazin-4-ium-1-yl]ethanone Formula: C18H22ClN2O3+ MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3/c1-14-11-15(4-5-17(14)19)24-13-18(22)21-8-6-20(7-9-21)12-16-3-2-10-23-16/h2-5,10-11H,6-9,12-13H2,1H3/p+1