(1S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-ethanamine

Systemtic Name: (1S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-ethanamine Openeye Name: (1S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-ethanamine CAS Name: (1S)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-phenylethanamine IUPAC Name: (1S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenylethanamine Traditional Name: [(1S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-ethyl]amine Formula: C15H25N2+ MolecularWeight: 233.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2/c1-12-7-6-8-13(2)17(12)11-15(16)14-9-4-3-5-10-14/h3-5,9-10,12-13,15H,6-8,11,16H2,1-2H3/p+1/t12-,13-,15+/m0/s1