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

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-2-phenyl-acetamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)[C@@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H32N4O2/c27-20(25-11-5-2-6-12-25)17-24-13-15-26(16-14-24)21(18-7-3-1-4-8-18)22(28)23-19-9-10-19/h1,3-4,7-8,19,21H,2,5-6,9-17H2,(H,23,28)/p+1/t21-/m0/s1