[2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium

Systemtic Name: [2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium Openeye Name: [2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylammonium CAS Name: [2-[[3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium Traditional Name: [2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]benzyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=CC=CC=C2C[NH3+])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCC(=O)NC2=CC=CC=C2C[NH3+])C

InChI

InChI=1S/C17H27N3O/c1-13-9-14(2)12-20(11-13)8-7-17(21)19-16-6-4-3-5-15(16)10-18/h3-6,13-14H,7-12,18H2,1-2H3,(H,19,21)/p+2/t13-,14-/m0/s1