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

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O/c1-17-8-7-11-21(18(17)2)25-14-12-24(13-15-25)19(3)22(26)23-16-20-9-5-4-6-10-20/h4-11,19H,12-16H2,1-3H3,(H,23,26)/p+1/t19-/m1/s1