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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[(2R)-2-phenylpropyl]acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NCC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H28ClN3O/c1-17-8-9-20(23)14-21(17)26-12-10-25(11-13-26)16-22(27)24-15-18(2)19-6-4-3-5-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1