4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C16H23N3O2/c1-11-4-3-9-19(10-11)12(2)16(21)18-14-7-5-13(6-8-14)15(17)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,17,20)(H,18,21)/p+1/t11-,12-/m0/s1