N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-[(1S)-1-phenylethyl]-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-[(1S)-1-phenylethyl]-2-piperazin-1-ium-1-yl-acetamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCNCC2

InChI

InChI=1S/C14H21N3O/c1-12(13-5-3-2-4-6-13)16-14(18)11-17-9-7-15-8-10-17/h2-6,12,15H,7-11H2,1H3,(H,16,18)/p+1/t12-/m0/s1