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

Systemtic Name: N-methyl-2-[(2S)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(4-methylphenoxy)ethyl]ethanamide Openeye Name: 2-[(2S)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide CAS Name: N-methyl-2-[(2S)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(4-methylphenoxy)ethyl]acetamide IUPAC Name: N-methyl-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide Traditional Name: 2-[(2S)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN(C)C(=O)CC2C(=O)NCC[NH+]2CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCN(C)C(=O)C[C@H]2C(=O)NCC[NH+]2CCC(C)C

InChI

InChI=1S/C21H33N3O3/c1-16(2)9-11-24-12-10-22-21(26)19(24)15-20(25)23(4)13-14-27-18-7-5-17(3)6-8-18/h5-8,16,19H,9-15H2,1-4H3,(H,22,26)/p+1/t19-/m0/s1