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

Systemtic Name: 2-[4-[2-(azepan-1-ium-1-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-(1-azepan-1-iumyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(azepan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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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+]3CCCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C22H34N4O2/c1-18-8-7-9-19(2)22(18)23-20(27)16-25-12-14-26(15-13-25)21(28)17-24-10-5-3-4-6-11-24/h7-9H,3-6,10-17H2,1-2H3,(H,23,27)/p+2