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

Systemtic Name: [4-[4-(4-oxidanylpiperidin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [4-[4-(4-hydroxypiperidin-1-ium-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [4-[[4-(4-hydroxy-1-piperidin-1-iumyl)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [4-[4-(4-hydroxypiperidin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [4-[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=C(C=C2)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c17-12-13-3-5-14(6-4-13)18-16(21)2-1-9-19-10-7-15(20)8-11-19/h3-6,15,20H,1-2,7-12,17H2,(H,18,21)/p+2