2-(5-methyl-2-propan-2-yl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27N3O2/c1-16(2)18-8-7-17(3)14-19(18)26-15-21(25)24-12-10-23(11-13-24)20-6-4-5-9-22-20/h4-9,14,16H,10-13,15H2,1-3H3/p+1