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

Systemtic Name: (2R)-2-(4-ethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(4-ethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-(4-ethylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-ethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-(4-ethylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-3-17-7-9-18(10-8-17)25-16(2)20(24)23-14-12-22(13-15-23)19-6-4-5-11-21-19/h4-11,16H,3,12-15H2,1-2H3/p+1/t16-/m1/s1