4-[2-(azocan-1-ium-1-yl)ethanoylamino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[2-(azocan-1-ium-1-yl)ethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N,N-dimethyl-benzamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-20(2)18(23)15-8-10-16(11-9-15)19-17(22)14-21-12-6-4-3-5-7-13-21/h8-11H,3-7,12-14H2,1-2H3,(H,19,22)/p+1