[4-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]phenyl]methylazanium

Systemtic Name: [4-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]phenyl]methylazanium Openeye Name: [4-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]phenyl]methylammonium CAS Name: [4-[[(2S)-1-oxo-2-(1-piperidin-1-iumyl)propyl]amino]phenyl]methylammonium IUPAC Name: [4-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]phenyl]methylazanium Traditional Name: [4-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]benzyl]ammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C[NH3+])[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C[NH3+])[NH+]2CCCCC2

InChI

InChI=1S/C15H23N3O/c1-12(18-9-3-2-4-10-18)15(19)17-14-7-5-13(11-16)6-8-14/h5-8,12H,2-4,9-11,16H2,1H3,(H,17,19)/p+2/t12-/m0/s1