N-(3-azanyl-4-methyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-4-methyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-methyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(3-amino-4-methylphenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-amino-4-methyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC(=C(C=C2)C)N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-11-6-12(2)9-19(8-11)10-16(20)18-14-5-4-13(3)15(17)7-14/h4-5,7,11-12H,6,8-10,17H2,1-3H3,(H,18,20)/p+1/t11-,12-/m0/s1