2-[4-[2-(azocan-1-ium-1-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(azocan-1-ium-1-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-(1-azocan-1-iumyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C23H36N4O2/c1-19-9-8-10-20(2)23(19)24-21(28)17-26-13-15-27(16-14-26)22(29)18-25-11-6-4-3-5-7-12-25/h8-10H,3-7,11-18H2,1-2H3,(H,24,28)/p+2