(3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-phenyl-butan-1-one

Systemtic Name: (3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-phenyl-butan-1-one Openeye Name: (3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-phenyl-butan-1-one CAS Name: (3S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-phenyl-1-butanone IUPAC Name: (3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-phenylbutan-1-one Traditional Name: (3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-phenyl-butan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-3-17-9-11-18(12-10-17)16(19)13-14(2)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/p+1/t14-/m0/s1