2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide

Systemtic Name: 2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[4-[2-(dimethylamino)-2-keto-ethyl]piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O2/c1-4-17(18-8-6-5-7-9-18)14-21-19(25)15-23-10-12-24(13-11-23)16-20(26)22(2)3/h5-9,17H,4,10-16H2,1-3H3,(H,21,25)/p+1/t17-/m1/s1