2-[1-(2-chloranyl-6-methyl-phenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(2-chloranyl-6-methyl-phenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(2-chloro-6-methyl-phenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-(2-chloro-6-methylphenyl)-3-(hydroxymethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-chloro-6-methylphenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(2-chloro-6-methyl-phenyl)-3-methylol-piperazin-1-ium-1-yl]acetamide Formula: C14H21ClN3O2+ MolecularWeight: 298.78844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O2/c1-10-3-2-4-12(15)14(10)18(8-13(16)20)6-5-17-11(7-18)9-19/h2-4,11,17,19H,5-9H2,1H3,(H-,16,20)/p+1