N-(3-aminophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-aminophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-aminophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(3-aminophenyl)-3-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-aminophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-aminophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-12-5-3-6-13(2)19(12)10-9-16(20)18-15-8-4-7-14(17)11-15/h4,7-8,11-13H,3,5-6,9-10,17H2,1-2H3,(H,18,20)/p+1/t12-,13-/m0/s1