2-[ethyl(phenyl)amino]-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-[ethyl(phenyl)amino]-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(N-ethylanilino)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(N-ethylanilino)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(N-ethylanilino)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(N-ethylanilino)-1-piperazin-4-ium-1-yl-ethanone Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N1CC[NH2+]CC1)C2=CC=CC=C2

Isomeric SMILES

CCN(CC(=O)N1CC[NH2+]CC1)C2=CC=CC=C2

InChI

InChI=1S/C14H21N3O/c1-2-16(13-6-4-3-5-7-13)12-14(18)17-10-8-15-9-11-17/h3-7,15H,2,8-12H2,1H3/p+1