N-[2-[(2S)-butan-2-yl]phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCCCC2C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C18H28N2O/c1-4-14(2)16-10-5-6-11-17(16)19-18(21)13-20-12-8-7-9-15(20)3/h5-6,10-11,14-15H,4,7-9,12-13H2,1-3H3,(H,19,21)/p+1/t14-,15-/m0/s1