N-(2,6-diethylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[(2S)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCCCC[C@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H34N2O2/c1-4-19-10-9-11-20(5-2)25(19)26-24(28)18-27-17-8-6-7-12-23(27)21-13-15-22(29-3)16-14-21/h9-11,13-16,23H,4-8,12,17-18H2,1-3H3,(H,26,28)/p+1/t23-/m0/s1