2-[(3S)-3-methyl-3-phenyl-piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: 2-[(3S)-3-methyl-3-phenyl-piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[(3S)-3-methyl-3-phenyl-piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[(3S)-3-methyl-3-phenyl-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-[(3S)-3-methyl-3-phenylpiperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[(3S)-3-methyl-3-phenyl-piperazine-1,4-diium-1-yl]acetamide Formula: C13H21N3O+2 MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](CC[NH2+]1)CC(=O)N)C2=CC=CC=C2

Isomeric SMILES

C[C@@]1(C[NH+](CC[NH2+]1)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+2/t13-/m1/s1