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(3-phenoxyphenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium

(3-phenoxyphenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium

Systemtic Name:(3-phenoxyphenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium
Openeye Name:(3-phenoxyphenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]ammonium
CAS Name:2-[[oxo(3-pyridinyl)methyl]amino]ethyl-[(3-phenoxyphenyl)methyl]ammonium
IUPAC Name:(3-phenoxyphenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]azanium
Traditional Name:2-nicotinamidoethyl-(3-phenoxybenzyl)ammonium
Formula: C21H22N3O2+
MolecularWeight: 348.41828
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C[NH2+]CCNC(=O)C3=CN=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C[NH2+]CCNC(=O)C3=CN=CC=C3


InChI

InChI=1S/C21H21N3O2/c25-21(18-7-5-11-22-16-18)24-13-12-23-15-17-6-4-10-20(14-17)26-19-8-2-1-3-9-19/h1-11,14,16,23H,12-13,15H2,(H,24,25)/p+1


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