2-(azepan-1-ium-1-yl)-N-[3-[2-(azepan-1-ium-1-yl)ethanoylamino]phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[3-[2-(azepan-1-ium-1-yl)ethanoylamino]phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[3-[[2-(azepan-1-ium-1-yl)acetyl]amino]phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[3-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[3-[[2-(azepan-1-ium-1-yl)acetyl]amino]phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[3-[[2-(azepan-1-ium-1-yl)acetyl]amino]phenyl]acetamide Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C22H34N4O2/c27-21(17-25-12-5-1-2-6-13-25)23-19-10-9-11-20(16-19)24-22(28)18-26-14-7-3-4-8-15-26/h9-11,16H,1-8,12-15,17-18H2,(H,23,27)(H,24,28)/p+2