3-[2-(azepan-1-ium-1-yl)ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-(azepan-1-ium-1-yl)ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N,N-diethyl-benzamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2/c1-3-22(4-2)19(24)16-10-9-11-17(14-16)20-18(23)15-21-12-7-5-6-8-13-21/h9-11,14H,3-8,12-13,15H2,1-2H3,(H,20,23)/p+1