2-[1-(2,6-dimethylphenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(2,6-dimethylphenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(2,6-dimethylphenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-(2,6-dimethylphenyl)-3-(hydroxymethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2,6-dimethylphenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(2,6-dimethylphenyl)-3-methylol-piperazin-1-ium-1-yl]acetamide Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2(CCNC(C2)CO)CC(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2(CCNC(C2)CO)CC(=O)N

InChI

InChI=1S/C15H23N3O2/c1-11-4-3-5-12(2)15(11)18(9-14(16)20)7-6-17-13(8-18)10-19/h3-5,13,17,19H,6-10H2,1-2H3,(H-,16,20)/p+1