2-[4-[2-(azepan-1-ium-1-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C22H34N4O2/c1-2-19-9-5-6-10-20(19)23-21(27)17-25-13-15-26(16-14-25)22(28)18-24-11-7-3-4-8-12-24/h5-6,9-10H,2-4,7-8,11-18H2,1H3,(H,23,27)/p+2