(2R)-2-[ethyl(phenyl)amino]-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: (2R)-2-[ethyl(phenyl)amino]-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: (2R)-2-(N-ethylanilino)-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: (2R)-2-(N-ethylanilino)-3-methyl-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2R)-2-(N-ethylanilino)-3-methyl-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: (2R)-2-(N-ethylanilino)-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(C(C)C)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCN(C1=CC=CC=C1)[C@H](C(C)C)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O/c1-4-20(15-8-6-5-7-9-15)16(14(2)3)17(21)19-12-10-18-11-13-19/h5-9,14,16,18H,4,10-13H2,1-3H3/p+1/t16-/m1/s1