N-[(2S)-butan-2-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-4-15(3)18-17(21)13-19-9-11-20(12-10-19)16-8-6-5-7-14(16)2/h5-8,15H,4,9-13H2,1-3H3,(H,18,21)/p+1/t15-/m0/s1