1-(3-aminophenyl)-2-(azepan-1-ium-1-yl)ethanone

Systemtic Name: 1-(3-aminophenyl)-2-(azepan-1-ium-1-yl)ethanone Openeye Name: 1-(3-aminophenyl)-2-(azepan-1-ium-1-yl)ethanone CAS Name: 1-(3-aminophenyl)-2-(1-azepan-1-iumyl)ethanone IUPAC Name: 1-(3-aminophenyl)-2-(azepan-1-ium-1-yl)ethanone Traditional Name: 1-(3-aminophenyl)-2-(azepan-1-ium-1-yl)ethanone Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O/c15-13-7-5-6-12(10-13)14(17)11-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11,15H2/p+1