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

Systemtic Name: 2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C21H32N4O2/c1-18(19-8-4-2-5-9-19)22-20(26)16-23-12-14-24(15-13-23)17-21(27)25-10-6-3-7-11-25/h2,4-5,8-9,18H,3,6-7,10-17H2,1H3,(H,22,26)/p+1/t18-/m0/s1