2-[(2S)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[(2S)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]ethanamide Openeye Name: N-[2-(4-isopropoxyphenyl)ethyl]-2-[(2S)-1-methyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2S)-1-methyl-3-oxo-2-piperazin-1-iumyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide IUPAC Name: 2-[(2S)-1-methyl-3-oxopiperazin-1-ium-2-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide Traditional Name: N-[2-(4-isopropoxyphenyl)ethyl]-2-[(2S)-3-keto-1-methyl-piperazin-1-ium-2-yl]acetamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCNC(=O)CC2C(=O)NCC[NH+]2C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCNC(=O)C[C@H]2C(=O)NCC[NH+]2C

InChI

InChI=1S/C18H27N3O3/c1-13(2)24-15-6-4-14(5-7-15)8-9-19-17(22)12-16-18(23)20-10-11-21(16)3/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)(H,20,23)/p+1/t16-/m0/s1