1-(4-ethylpiperazin-4-ium-1-yl)-4-phenoxy-butan-1-one

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-phenoxy-butan-1-one Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-phenoxy-butan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-4-phenoxy-1-butanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-phenoxybutan-1-one Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-phenoxy-butan-1-one Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-2-17-10-12-18(13-11-17)16(19)9-6-14-20-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3/p+1