N-(5-azanyl-2-methyl-phenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(5-amino-2-methylphenyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(5-amino-2-methylphenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(5-amino-2-methyl-phenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(=O)NC2=C(C=CC(=C2)N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-11-7-8-14(17)9-15(11)18-16(20)10-19-12(2)5-4-6-13(19)3/h7-9,12-13H,4-6,10,17H2,1-3H3,(H,18,20)/p+1/t12-,13-/m0/s1