4-[2-(azepan-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]benzamide CAS Name: 4-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]benzamide Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C15H21N3O2/c16-15(20)12-5-7-13(8-6-12)17-14(19)11-18-9-3-1-2-4-10-18/h5-8H,1-4,9-11H2,(H2,16,20)(H,17,19)/p+1