[3-[4-(4-oxidanylpiperidin-1-ium-1-yl)butanoylamino]phenyl]methylazanium

Systemtic Name: [3-[4-(4-oxidanylpiperidin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [3-[4-(4-hydroxypiperidin-1-ium-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [3-[[4-(4-hydroxy-1-piperidin-1-iumyl)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [3-[4-(4-hydroxypiperidin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [3-[4-(4-hydroxypiperidin-1-ium-1-yl)butanoylamino]benzyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CCCC(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

C1C[NH+](CCC1O)CCCC(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

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