2-(4-ethylphenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-(4-ethylphenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-(4-ethylphenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 2-(4-ethylphenoxy)-2-methyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-ethylphenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-(4-ethylphenoxy)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(C)(C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCC1=CC=C(C=C1)OC(C)(C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27N3O2/c1-4-17-8-10-18(11-9-17)26-21(2,3)20(25)24-15-13-23(14-16-24)19-7-5-6-12-22-19/h5-12H,4,13-16H2,1-3H3/p+1