(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propionamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O/c1-11-5-4-6-14(12(11)2)18-9-7-17(8-10-18)13(3)15(16)19/h4-6,13H,7-10H2,1-3H3,(H2,16,19)/p+1/t13-/m0/s1