[4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]phenyl]methylazanium

Systemtic Name: [4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]phenyl]methylazanium Openeye Name: [4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]phenyl]methylammonium CAS Name: [4-[[(2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]phenyl]methylazanium Traditional Name: [4-[[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]benzyl]ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C16H25N3O/c1-12-4-3-9-19(11-12)13(2)16(20)18-15-7-5-14(10-17)6-8-15/h5-8,12-13H,3-4,9-11,17H2,1-2H3,(H,18,20)/p+2/t12-,13-/m0/s1