2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-methylbutan-2-yl]ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(1R)-1,2-dimethylpropyl]acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[(2R)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(1R)-1,2-dimethylpropyl]acetamide Formula: C18H29ClN3O+ MolecularWeight: 338.89536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N[C@H](C)C(C)C

InChI

InChI=1S/C18H28ClN3O/c1-13(2)15(4)20-18(23)12-21-7-9-22(10-8-21)17-11-16(19)6-5-14(17)3/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,20,23)/p+1/t15-/m1/s1