[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(1S)-1-pyridin-4-ylethyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(1S)-1-pyridin-4-ylethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)phenyl]methyl-[(1S)-1-(4-pyridyl)ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(1S)-1-pyridin-4-ylethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(1S)-1-pyridin-4-ylethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-[(1S)-1-(4-pyridyl)ethyl]ammonium Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)[NH2+]CC2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

C[C@@H](C1=CC=NC=C1)[NH2+]CC2=CC=C(C=C2)OCC(=O)N

InChI

InChI=1S/C16H19N3O2/c1-12(14-6-8-18-9-7-14)19-10-13-2-4-15(5-3-13)21-11-16(17)20/h2-9,12,19H,10-11H2,1H3,(H2,17,20)/p+1/t12-/m0/s1