2-[4-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-1-piperazin-4-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]piperazin-4-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CC[NH+](CC2)C(C)C(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CC[NH+](CC2)[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H36N4O2/c1-3-20-10-6-7-11-21(20)24-22(28)18-25-14-16-26(17-15-25)19(2)23(29)27-12-8-4-5-9-13-27/h6-7,10-11,19H,3-5,8-9,12-18H2,1-2H3,(H,24,28)/p+1/t19-/m1/s1