[2-[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]phenyl]methylazanium

Systemtic Name: [2-[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanoylamino]phenyl]methylazanium Openeye Name: [2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]phenyl]methylammonium CAS Name: [2-[[2-[(2S)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]phenyl]methylazanium Traditional Name: [2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetyl]amino]benzyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC(=O)NC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCO)CC(=O)NC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C16H25N3O2/c17-11-13-5-1-2-7-15(13)18-16(21)12-19-9-4-3-6-14(19)8-10-20/h1-2,5,7,14,20H,3-4,6,8-12,17H2,(H,18,21)/p+2/t14-/m0/s1