[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium

Systemtic Name: [3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium Openeye Name: [3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylammonium CAS Name: [3-[[3-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium Traditional Name: [3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoylamino]benzyl]ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13-5-2-3-9-19(13)10-8-16(20)18-15-7-4-6-14(11-15)12-17/h4,6-7,11,13H,2-3,5,8-10,12,17H2,1H3,(H,18,20)/p+2/t13-/m0/s1