N-[4-(azepan-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)phenyl]acetamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)phenyl]acetamide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCCCC2

InChI

InChI=1S/C15H22N2O/c1-13(18)16-15-8-6-14(7-9-15)12-17-10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3,(H,16,18)/p+1