N-(2,6-dimethylphenyl)-2-[4-[(1S)-1-phenylethyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(1S)-1-phenylethyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(1S)-1-phenylethyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(1S)-1-phenylethyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(1S)-1-phenylethyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(1S)-1-phenylethyl]piperazine-1,4-diium-1-yl]acetamide Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-17-8-7-9-18(2)22(17)23-21(26)16-24-12-14-25(15-13-24)19(3)20-10-5-4-6-11-20/h4-11,19H,12-16H2,1-3H3,(H,23,26)/p+2/t19-/m0/s1