N-[4-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[4-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]acetamide IUPAC Name: N-[4-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[4-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]acetamide Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-14(20)18-15-6-8-17(9-7-15)22-13-16(21)12-19-10-4-2-3-5-11-19/h6-9,16,21H,2-5,10-13H2,1H3,(H,18,20)/p+1/t16-/m0/s1