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

Systemtic Name: (2S)-N-ethyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC=C2C

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC=CC=C2C

InChI

InChI=1S/C16H25N3O/c1-4-17-16(20)14(3)18-9-11-19(12-10-18)15-8-6-5-7-13(15)2/h5-8,14H,4,9-12H2,1-3H3,(H,17,20)/p+1/t14-/m0/s1