N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]propyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]propyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]propyl]-4-(trifluoromethyl)benzamide CAS Name: N-[3-[5-(1-azepan-1-iumylmethyl)-2-methoxyphenoxy]propyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxyphenoxy]propyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]propyl]-4-(trifluoromethyl)benzamide Formula: C25H32F3N2O3+ MolecularWeight: 465.52839

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCCC2)OCCCNC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCCCC2)OCCCNC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C25H31F3N2O3/c1-32-22-12-7-19(18-30-14-4-2-3-5-15-30)17-23(22)33-16-6-13-29-24(31)20-8-10-21(11-9-20)25(26,27)28/h7-12,17H,2-6,13-16,18H2,1H3,(H,29,31)/p+1