2-(azepan-1-ium-1-yl)-N-phenethyl-ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-phenethyl-ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-phenethyl-acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-phenethylacetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-phenethylacetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-phenethyl-acetamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O/c19-16(14-18-12-6-1-2-7-13-18)17-11-10-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14H2,(H,17,19)/p+1