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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]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)N(C)C(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O/c1-17-9-10-20(23)15-21(17)26-13-11-25(12-14-26)16-22(27)24(3)18(2)19-7-5-4-6-8-19/h4-10,15,18H,11-14,16H2,1-3H3/p+1/t18-/m1/s1