2-[(3S)-3-methyl-3-phenyl-piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[(3S)-3-methyl-3-phenyl-piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[(3S)-3-methyl-3-phenyl-piperazin-1-ium-1-yl]acetamide CAS Name: 2-[(3S)-3-methyl-3-phenyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[(3S)-3-methyl-3-phenylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[(3S)-3-methyl-3-phenyl-piperazin-1-ium-1-yl]acetamide Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](CCN1)CC(=O)N)C2=CC=CC=C2

Isomeric SMILES

C[C@@]1(C[NH+](CCN1)CC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C13H19N3O/c1-13(11-5-3-2-4-6-11)10-16(8-7-15-13)9-12(14)17/h2-6,15H,7-10H2,1H3,(H2,14,17)/p+1/t13-/m1/s1