(2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C)C(=O)N

InChI

InChI=1S/C14H21N3O/c1-11-5-3-4-6-13(11)17-9-7-16(8-10-17)12(2)14(15)18/h3-6,12H,7-10H2,1-2H3,(H2,15,18)/p+1/t12-/m0/s1