2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-propargyl-acetamide Formula: C16H21ClN3O+ MolecularWeight: 306.81044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NCC#C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NCC#C

InChI

InChI=1S/C16H20ClN3O/c1-3-6-18-16(21)12-19-7-9-20(10-8-19)15-11-14(17)5-4-13(15)2/h1,4-5,11H,6-10,12H2,2H3,(H,18,21)/p+1