2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H28ClN3O2/c1-16(2)19-13-20(23)17(3)12-21(19)28-15-22(27)26-10-8-25(9-11-26)14-18-4-6-24-7-5-18/h4-7,12-13,16H,8-11,14-15H2,1-3H3/p+1