N-ethyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-ethyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-ethyl-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-ethyl-3-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-ethyl-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-ethyl-3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCCCC2C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C17H25N3O2/c1-3-18-17(22)14-8-6-9-15(11-14)19-16(21)12-20-10-5-4-7-13(20)2/h6,8-9,11,13H,3-5,7,10,12H2,1-2H3,(H,18,22)(H,19,21)/p+1/t13-/m0/s1