N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)ethanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)ethanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-isopropylphenoxy)acetamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-isopropylphenoxy)acetamide Formula: C26H37N2O3+ MolecularWeight: 425.58358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCCC3

InChI

InChI=1S/C26H36N2O3/c1-20(2)21-8-14-24(15-9-21)31-19-26(29)27-18-25(28-16-6-4-5-7-17-28)22-10-12-23(30-3)13-11-22/h8-15,20,25H,4-7,16-19H2,1-3H3,(H,27,29)/p+1/t25-/m0/s1