1-[[2-(4-azanylpyridin-1-ium-3-yl)phenyl]methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[[2-(4-azanylpyridin-1-ium-3-yl)phenyl]methyl]piperidin-1-ium-4-one Openeye Name: 1-[[2-(4-aminopyridin-1-ium-3-yl)phenyl]methyl]piperidin-1-ium-4-one CAS Name: 1-[[2-(4-amino-3-pyridin-1-iumyl)phenyl]methyl]-4-piperidin-1-iumone IUPAC Name: 1-[[2-(4-aminopyridin-1-ium-3-yl)phenyl]methyl]piperidin-1-ium-4-one Traditional Name: 1-[2-(4-aminopyridin-1-ium-3-yl)benzyl]piperidin-1-ium-4-one Formula: C17H21N3O+2 MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=C(C=C[NH+]=C3)N

Isomeric SMILES

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=C(C=C[NH+]=C3)N

InChI

InChI=1S/C17H19N3O/c18-17-5-8-19-11-16(17)15-4-2-1-3-13(15)12-20-9-6-14(21)7-10-20/h1-5,8,11H,6-7,9-10,12H2,(H2,18,19)/p+2