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

Systemtic Name: (2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide CAS Name: (2R)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-methyl-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-phenylpropanamide Traditional Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propionamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O/c1-16-9-10-18(22)15-20(16)25-13-11-24(12-14-25)17(2)21(26)23(3)19-7-5-4-6-8-19/h4-10,15,17H,11-14H2,1-3H3/p+1/t17-/m1/s1