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

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(5-amino-2-methylphenyl)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(5-amino-2-methylphenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(5-amino-2-methyl-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-12-8-13(2)11-20(10-12)7-6-17(21)19-16-9-15(18)5-4-14(16)3/h4-5,9,12-13H,6-8,10-11,18H2,1-3H3,(H,19,21)/p+1/t12-,13-/m0/s1