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

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-methyl-benzamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C16H23N3O2/c1-17-16(21)13-6-8-14(9-7-13)18-15(20)12-19-10-4-2-3-5-11-19/h6-9H,2-5,10-12H2,1H3,(H,17,21)(H,18,20)/p+1