3-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-methyl-benzamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C17H25N3O2/c1-18-17(22)14-8-7-9-15(12-14)19-16(21)13-20-10-5-3-2-4-6-11-20/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,22)(H,19,21)/p+1