N-(2,6-dimethylphenyl)-2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NCC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NCC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C18H27N3O2/c1-13-6-5-9-21(11-13)12-17(23)19-10-16(22)20-18-14(2)7-4-8-15(18)3/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,19,23)(H,20,22)/p+1/t13-/m0/s1