[4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium

Systemtic Name: [4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium Openeye Name: [4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylammonium CAS Name: [4-[[3-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium Traditional Name: [4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]benzyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCC(=O)NC2=CC=C(C=C2)C[NH3+])C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CCC(=O)NC2=CC=C(C=C2)C[NH3+])C

InChI

InChI=1S/C17H27N3O/c1-13-4-3-5-14(2)20(13)11-10-17(21)19-16-8-6-15(12-18)7-9-16/h6-9,13-14H,3-5,10-12,18H2,1-2H3,(H,19,21)/p+2/t13-,14-/m0/s1