(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O/c1-16-8-7-11-20(17(16)2)24-14-12-23(13-15-24)18(3)21(25)22-19-9-5-4-6-10-19/h4-11,18H,12-15H2,1-3H3,(H,22,25)/p+1/t18-/m1/s1