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

Systemtic Name: (2S)-N-(3-aminophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-aminophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-aminophenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-aminophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-aminophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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