N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-(4-phenethyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazine-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)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-18-7-6-8-19(2)22(18)23-21(26)17-25-15-13-24(14-16-25)12-11-20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3,(H,23,26)/p+2