N-[1-(2-oxidanylpropyl)azepan-1-ium-1-yl]benzamide

Systemtic Name: N-[1-(2-oxidanylpropyl)azepan-1-ium-1-yl]benzamide Openeye Name: N-[1-(2-hydroxypropyl)azepan-1-ium-1-yl]benzamide CAS Name: N-[1-(2-hydroxypropyl)-1-azepan-1-iumyl]benzamide IUPAC Name: N-[1-(2-hydroxypropyl)azepan-1-ium-1-yl]benzamide Traditional Name: N-[1-(2-hydroxypropyl)azepan-1-ium-1-yl]benzamide Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCCCC1)NC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C[N+]1(CCCCCC1)NC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H24N2O2/c1-14(19)13-18(11-7-2-3-8-12-18)17-16(20)15-9-5-4-6-10-15/h4-6,9-10,14,19H,2-3,7-8,11-13H2,1H3/p+1