N-(2-chloranylpyridin-3-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O2/c1-26-16-10-8-15(9-11-16)18-7-3-2-4-13-24(18)14-19(25)23-17-6-5-12-22-20(17)21/h5-6,8-12,18H,2-4,7,13-14H2,1H3,(H,23,25)/p+1/t18-/m1/s1